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You searched for subject:(Time dependent density functional theory). Showing records 1 – 30 of 117932 total matches.

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Tulane University

1. Dougherty, Kelly J. Synthesis of compounds with very large specific rotations.

Degree: 2020, Tulane University

[email protected]

A search in a research database for “large specific rotation” or anything similar produces few articles. Large specific rotation is not commonly used… (more)

Subjects/Keywords: time-dependent density functional theory

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APA (6th Edition):

Dougherty, K. J. (2020). Synthesis of compounds with very large specific rotations. (Thesis). Tulane University. Retrieved from https://digitallibrary.tulane.edu/islandora/object/tulane:120370

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Dougherty, Kelly J. “Synthesis of compounds with very large specific rotations.” 2020. Thesis, Tulane University. Accessed April 11, 2021. https://digitallibrary.tulane.edu/islandora/object/tulane:120370.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Dougherty, Kelly J. “Synthesis of compounds with very large specific rotations.” 2020. Web. 11 Apr 2021.

Vancouver:

Dougherty KJ. Synthesis of compounds with very large specific rotations. [Internet] [Thesis]. Tulane University; 2020. [cited 2021 Apr 11]. Available from: https://digitallibrary.tulane.edu/islandora/object/tulane:120370.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Dougherty KJ. Synthesis of compounds with very large specific rotations. [Thesis]. Tulane University; 2020. Available from: https://digitallibrary.tulane.edu/islandora/object/tulane:120370

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


Vanderbilt University

2. Kidd, Daniel Wayne. Accelerated Time Propagation in Time-Dependent Density Functional Theory.

Degree: PhD, Physics, 2018, Vanderbilt University

Time-dependent density functional theory (TDDFT) is a widely used, formally exact approach for describing quantum many-body electron dynamics. This approach makes possible the theoretical investigation… (more)

Subjects/Keywords: Density Functional Theory; simulation; basis functions; Time-Dependent Density Functional Theory; exponential integrator; pseudospectral

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APA (6th Edition):

Kidd, D. W. (2018). Accelerated Time Propagation in Time-Dependent Density Functional Theory. (Doctoral Dissertation). Vanderbilt University. Retrieved from http://hdl.handle.net/1803/11656

Chicago Manual of Style (16th Edition):

Kidd, Daniel Wayne. “Accelerated Time Propagation in Time-Dependent Density Functional Theory.” 2018. Doctoral Dissertation, Vanderbilt University. Accessed April 11, 2021. http://hdl.handle.net/1803/11656.

MLA Handbook (7th Edition):

Kidd, Daniel Wayne. “Accelerated Time Propagation in Time-Dependent Density Functional Theory.” 2018. Web. 11 Apr 2021.

Vancouver:

Kidd DW. Accelerated Time Propagation in Time-Dependent Density Functional Theory. [Internet] [Doctoral dissertation]. Vanderbilt University; 2018. [cited 2021 Apr 11]. Available from: http://hdl.handle.net/1803/11656.

Council of Science Editors:

Kidd DW. Accelerated Time Propagation in Time-Dependent Density Functional Theory. [Doctoral Dissertation]. Vanderbilt University; 2018. Available from: http://hdl.handle.net/1803/11656


Vanderbilt University

3. Russakoff, Arthur Gerald. The Interaction of Small Molecules and Short Intense Laser Fields.

Degree: PhD, Physics, 2015, Vanderbilt University

 The advent of short intense laser fields promises unprecedented quantum control over chemical reactions. Laser fields of femtosecond duration are now readily available on the… (more)

Subjects/Keywords: molecular dynamics; ehrenfest dynamics; time dependent density functional theory; physics; femtosecond; attosecond; density functional theory

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APA (6th Edition):

Russakoff, A. G. (2015). The Interaction of Small Molecules and Short Intense Laser Fields. (Doctoral Dissertation). Vanderbilt University. Retrieved from http://hdl.handle.net/1803/15339

Chicago Manual of Style (16th Edition):

Russakoff, Arthur Gerald. “The Interaction of Small Molecules and Short Intense Laser Fields.” 2015. Doctoral Dissertation, Vanderbilt University. Accessed April 11, 2021. http://hdl.handle.net/1803/15339.

MLA Handbook (7th Edition):

Russakoff, Arthur Gerald. “The Interaction of Small Molecules and Short Intense Laser Fields.” 2015. Web. 11 Apr 2021.

Vancouver:

Russakoff AG. The Interaction of Small Molecules and Short Intense Laser Fields. [Internet] [Doctoral dissertation]. Vanderbilt University; 2015. [cited 2021 Apr 11]. Available from: http://hdl.handle.net/1803/15339.

Council of Science Editors:

Russakoff AG. The Interaction of Small Molecules and Short Intense Laser Fields. [Doctoral Dissertation]. Vanderbilt University; 2015. Available from: http://hdl.handle.net/1803/15339


Brigham Young University

4. Jensen, Daniel S. Real-Space Approach to Time Dependent Current Density Functional Theory.

Degree: MS, 2010, Brigham Young University

  A real-space time-domain calculation of the frequency-dependent dielectric constant of nonmetallic crystals is outlined and the integrals required for this calculation are computed. The… (more)

Subjects/Keywords: Time dependent current density functional theory; density functional theory; molecular integrals; Astrophysics and Astronomy; Physics

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APA (6th Edition):

Jensen, D. S. (2010). Real-Space Approach to Time Dependent Current Density Functional Theory. (Masters Thesis). Brigham Young University. Retrieved from https://scholarsarchive.byu.edu/cgi/viewcontent.cgi?article=3558&context=etd

Chicago Manual of Style (16th Edition):

Jensen, Daniel S. “Real-Space Approach to Time Dependent Current Density Functional Theory.” 2010. Masters Thesis, Brigham Young University. Accessed April 11, 2021. https://scholarsarchive.byu.edu/cgi/viewcontent.cgi?article=3558&context=etd.

MLA Handbook (7th Edition):

Jensen, Daniel S. “Real-Space Approach to Time Dependent Current Density Functional Theory.” 2010. Web. 11 Apr 2021.

Vancouver:

Jensen DS. Real-Space Approach to Time Dependent Current Density Functional Theory. [Internet] [Masters thesis]. Brigham Young University; 2010. [cited 2021 Apr 11]. Available from: https://scholarsarchive.byu.edu/cgi/viewcontent.cgi?article=3558&context=etd.

Council of Science Editors:

Jensen DS. Real-Space Approach to Time Dependent Current Density Functional Theory. [Masters Thesis]. Brigham Young University; 2010. Available from: https://scholarsarchive.byu.edu/cgi/viewcontent.cgi?article=3558&context=etd


University of Washington

5. Peng, Bo. Towards Accurate and Efficient Description of Excited States.

Degree: PhD, 2016, University of Washington

 The microscopic and molecular-level characterization and understanding of excited states properties and dynamics plays an important role in modern scientic research. Tremendous examples can be… (more)

Subjects/Keywords: Coupled-Cluster; Density Functional Theory; Excited States; Time-Dependent Density Functional Theory; Physical chemistry; chemistry

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APA (6th Edition):

Peng, B. (2016). Towards Accurate and Efficient Description of Excited States. (Doctoral Dissertation). University of Washington. Retrieved from http://hdl.handle.net/1773/36530

Chicago Manual of Style (16th Edition):

Peng, Bo. “Towards Accurate and Efficient Description of Excited States.” 2016. Doctoral Dissertation, University of Washington. Accessed April 11, 2021. http://hdl.handle.net/1773/36530.

MLA Handbook (7th Edition):

Peng, Bo. “Towards Accurate and Efficient Description of Excited States.” 2016. Web. 11 Apr 2021.

Vancouver:

Peng B. Towards Accurate and Efficient Description of Excited States. [Internet] [Doctoral dissertation]. University of Washington; 2016. [cited 2021 Apr 11]. Available from: http://hdl.handle.net/1773/36530.

Council of Science Editors:

Peng B. Towards Accurate and Efficient Description of Excited States. [Doctoral Dissertation]. University of Washington; 2016. Available from: http://hdl.handle.net/1773/36530


Purdue University

6. Jensen, Daniel Spencer. Density-to-Potential Inversions in Density Functional Theory.

Degree: PhD, Physics & Astronomy, 2016, Purdue University

Density functional theory and many of its extensions are formally exact quantum many-body theories. In practice, however, implementations of these theories use approximations for all… (more)

Subjects/Keywords: density functional theory; inverse problems; PDE-constrained optimization; time-dependent density functional theory

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APA (6th Edition):

Jensen, D. S. (2016). Density-to-Potential Inversions in Density Functional Theory. (Doctoral Dissertation). Purdue University. Retrieved from https://docs.lib.purdue.edu/open_access_dissertations/1387

Chicago Manual of Style (16th Edition):

Jensen, Daniel Spencer. “Density-to-Potential Inversions in Density Functional Theory.” 2016. Doctoral Dissertation, Purdue University. Accessed April 11, 2021. https://docs.lib.purdue.edu/open_access_dissertations/1387.

MLA Handbook (7th Edition):

Jensen, Daniel Spencer. “Density-to-Potential Inversions in Density Functional Theory.” 2016. Web. 11 Apr 2021.

Vancouver:

Jensen DS. Density-to-Potential Inversions in Density Functional Theory. [Internet] [Doctoral dissertation]. Purdue University; 2016. [cited 2021 Apr 11]. Available from: https://docs.lib.purdue.edu/open_access_dissertations/1387.

Council of Science Editors:

Jensen DS. Density-to-Potential Inversions in Density Functional Theory. [Doctoral Dissertation]. Purdue University; 2016. Available from: https://docs.lib.purdue.edu/open_access_dissertations/1387


The Ohio State University

7. Zhu, Ying. A Comparison of Calculation by Real-Time and by Linear-Response Time-Dependent Density Functional Theory in the Regime of Linear Optical Response.

Degree: MS, Chemical Physics, 2016, The Ohio State University

 We present a method to calculate the excited electronic structure of chemical systems via a real-time approach by using time-dependent density functional theory (TDDFT), i.e.… (more)

Subjects/Keywords: Physical Chemistry; real-time time-dependent density functional theory; RT-TDDFT

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APA (6th Edition):

Zhu, Y. (2016). A Comparison of Calculation by Real-Time and by Linear-Response Time-Dependent Density Functional Theory in the Regime of Linear Optical Response. (Masters Thesis). The Ohio State University. Retrieved from http://rave.ohiolink.edu/etdc/view?acc_num=osu1460554444

Chicago Manual of Style (16th Edition):

Zhu, Ying. “A Comparison of Calculation by Real-Time and by Linear-Response Time-Dependent Density Functional Theory in the Regime of Linear Optical Response.” 2016. Masters Thesis, The Ohio State University. Accessed April 11, 2021. http://rave.ohiolink.edu/etdc/view?acc_num=osu1460554444.

MLA Handbook (7th Edition):

Zhu, Ying. “A Comparison of Calculation by Real-Time and by Linear-Response Time-Dependent Density Functional Theory in the Regime of Linear Optical Response.” 2016. Web. 11 Apr 2021.

Vancouver:

Zhu Y. A Comparison of Calculation by Real-Time and by Linear-Response Time-Dependent Density Functional Theory in the Regime of Linear Optical Response. [Internet] [Masters thesis]. The Ohio State University; 2016. [cited 2021 Apr 11]. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=osu1460554444.

Council of Science Editors:

Zhu Y. A Comparison of Calculation by Real-Time and by Linear-Response Time-Dependent Density Functional Theory in the Regime of Linear Optical Response. [Masters Thesis]. The Ohio State University; 2016. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=osu1460554444


University of Tennessee – Knoxville

8. Sundahl, Bryan Edman. Time Dependent Density-Functional Theory - Linear Response.

Degree: MS, Chemistry, 2013, University of Tennessee – Knoxville

  The formal derivation of the linear response of time-dependent density-functional theory as shown by E. K. U. Gross is presented. The transformation of formal… (more)

Subjects/Keywords: electronic structure; linear response; time-dependent density-functional theory; Physical Chemistry

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APA (6th Edition):

Sundahl, B. E. (2013). Time Dependent Density-Functional Theory - Linear Response. (Thesis). University of Tennessee – Knoxville. Retrieved from https://trace.tennessee.edu/utk_gradthes/2644

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Sundahl, Bryan Edman. “Time Dependent Density-Functional Theory - Linear Response.” 2013. Thesis, University of Tennessee – Knoxville. Accessed April 11, 2021. https://trace.tennessee.edu/utk_gradthes/2644.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Sundahl, Bryan Edman. “Time Dependent Density-Functional Theory - Linear Response.” 2013. Web. 11 Apr 2021.

Vancouver:

Sundahl BE. Time Dependent Density-Functional Theory - Linear Response. [Internet] [Thesis]. University of Tennessee – Knoxville; 2013. [cited 2021 Apr 11]. Available from: https://trace.tennessee.edu/utk_gradthes/2644.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Sundahl BE. Time Dependent Density-Functional Theory - Linear Response. [Thesis]. University of Tennessee – Knoxville; 2013. Available from: https://trace.tennessee.edu/utk_gradthes/2644

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

9. Fojt, Jakub. Hot-carrier generation and transfer across nanoparticle-molecule interfaces .

Degree: Chalmers tekniska högskola / Institutionen för fysik, 2020, Chalmers University of Technology

 Metallic nanoparticles are important materials for emerging sensing and catalysis technologies. Their special properties stem from the presence of a localized surface plasmon resonance (LSPR)… (more)

Subjects/Keywords: Hot-carriers; localized surface plasmon resonance; time-dependent density functional theory

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APA (6th Edition):

Fojt, J. (2020). Hot-carrier generation and transfer across nanoparticle-molecule interfaces . (Thesis). Chalmers University of Technology. Retrieved from http://hdl.handle.net/20.500.12380/301432

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Fojt, Jakub. “Hot-carrier generation and transfer across nanoparticle-molecule interfaces .” 2020. Thesis, Chalmers University of Technology. Accessed April 11, 2021. http://hdl.handle.net/20.500.12380/301432.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Fojt, Jakub. “Hot-carrier generation and transfer across nanoparticle-molecule interfaces .” 2020. Web. 11 Apr 2021.

Vancouver:

Fojt J. Hot-carrier generation and transfer across nanoparticle-molecule interfaces . [Internet] [Thesis]. Chalmers University of Technology; 2020. [cited 2021 Apr 11]. Available from: http://hdl.handle.net/20.500.12380/301432.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Fojt J. Hot-carrier generation and transfer across nanoparticle-molecule interfaces . [Thesis]. Chalmers University of Technology; 2020. Available from: http://hdl.handle.net/20.500.12380/301432

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of Newcastle

10. Burgess, Robertson Wesley. A TDDFT study of the optical absorption spectra of gold and silver clusters.

Degree: PhD, 2012, University of Newcastle

Research Doctorate - Doctor of Philosophy (PhD)

The absorption cross-section over the optical range of frequencies of gold and silver clusters of up to 171… (more)

Subjects/Keywords: TDDFT; gold; silver; DFT; Time Dependent Density Functional Theory; Density Functional Theory; nanoparticles; clusters; optical properties; absorption cross-section

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APA (6th Edition):

Burgess, R. W. (2012). A TDDFT study of the optical absorption spectra of gold and silver clusters. (Doctoral Dissertation). University of Newcastle. Retrieved from http://hdl.handle.net/1959.13/936786

Chicago Manual of Style (16th Edition):

Burgess, Robertson Wesley. “A TDDFT study of the optical absorption spectra of gold and silver clusters.” 2012. Doctoral Dissertation, University of Newcastle. Accessed April 11, 2021. http://hdl.handle.net/1959.13/936786.

MLA Handbook (7th Edition):

Burgess, Robertson Wesley. “A TDDFT study of the optical absorption spectra of gold and silver clusters.” 2012. Web. 11 Apr 2021.

Vancouver:

Burgess RW. A TDDFT study of the optical absorption spectra of gold and silver clusters. [Internet] [Doctoral dissertation]. University of Newcastle; 2012. [cited 2021 Apr 11]. Available from: http://hdl.handle.net/1959.13/936786.

Council of Science Editors:

Burgess RW. A TDDFT study of the optical absorption spectra of gold and silver clusters. [Doctoral Dissertation]. University of Newcastle; 2012. Available from: http://hdl.handle.net/1959.13/936786

11. ORHAN, OKAN KARACA. Corrective First-Principles Approaches for the Theoretical Spectroscopy of Transition-Metal Systems.

Degree: School of Physics. Discipline of Physics, 2018, Trinity College Dublin

Density-functional theory within its practical, widespread Kohn-Sham formalism (KS-DFT), is an effective approach for providing the starting point for advanced first-principles spectroscopy simulations of molecules… (more)

Subjects/Keywords: time-dependent density-functional theory; density-functional theory; GW approximation; Hubbard correction; transition-metals; theoretical spectroscopy

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APA (6th Edition):

ORHAN, O. K. (2018). Corrective First-Principles Approaches for the Theoretical Spectroscopy of Transition-Metal Systems. (Thesis). Trinity College Dublin. Retrieved from http://hdl.handle.net/2262/84975

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

ORHAN, OKAN KARACA. “Corrective First-Principles Approaches for the Theoretical Spectroscopy of Transition-Metal Systems.” 2018. Thesis, Trinity College Dublin. Accessed April 11, 2021. http://hdl.handle.net/2262/84975.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

ORHAN, OKAN KARACA. “Corrective First-Principles Approaches for the Theoretical Spectroscopy of Transition-Metal Systems.” 2018. Web. 11 Apr 2021.

Vancouver:

ORHAN OK. Corrective First-Principles Approaches for the Theoretical Spectroscopy of Transition-Metal Systems. [Internet] [Thesis]. Trinity College Dublin; 2018. [cited 2021 Apr 11]. Available from: http://hdl.handle.net/2262/84975.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

ORHAN OK. Corrective First-Principles Approaches for the Theoretical Spectroscopy of Transition-Metal Systems. [Thesis]. Trinity College Dublin; 2018. Available from: http://hdl.handle.net/2262/84975

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


Kent State University

12. Bhandari, Srijana. AN ELECTRONIC STRUCTURE APPROACH TO UNDERSTAND CHARGE TRANSFERAND TRANSPORT IN ORGANIC SEMICONDUCTING MATERIALS.

Degree: PhD, College of Arts and Sciences / Department of Chemistry and Biochemistry, 2020, Kent State University

 Effective design for improving the efficiency of optoelectronic devices requires an understandingof the role of the molecular environment in determining the properties of organicsemiconducting (OSC)… (more)

Subjects/Keywords: Chemistry; Physical Chemistry; Optoelectronic devices, Density functional theory, Time-dependent density functional theory, Range separated hybrid functionals, Negative differential resistance

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APA (6th Edition):

Bhandari, S. (2020). AN ELECTRONIC STRUCTURE APPROACH TO UNDERSTAND CHARGE TRANSFERAND TRANSPORT IN ORGANIC SEMICONDUCTING MATERIALS. (Doctoral Dissertation). Kent State University. Retrieved from http://rave.ohiolink.edu/etdc/view?acc_num=kent1606836665551399

Chicago Manual of Style (16th Edition):

Bhandari, Srijana. “AN ELECTRONIC STRUCTURE APPROACH TO UNDERSTAND CHARGE TRANSFERAND TRANSPORT IN ORGANIC SEMICONDUCTING MATERIALS.” 2020. Doctoral Dissertation, Kent State University. Accessed April 11, 2021. http://rave.ohiolink.edu/etdc/view?acc_num=kent1606836665551399.

MLA Handbook (7th Edition):

Bhandari, Srijana. “AN ELECTRONIC STRUCTURE APPROACH TO UNDERSTAND CHARGE TRANSFERAND TRANSPORT IN ORGANIC SEMICONDUCTING MATERIALS.” 2020. Web. 11 Apr 2021.

Vancouver:

Bhandari S. AN ELECTRONIC STRUCTURE APPROACH TO UNDERSTAND CHARGE TRANSFERAND TRANSPORT IN ORGANIC SEMICONDUCTING MATERIALS. [Internet] [Doctoral dissertation]. Kent State University; 2020. [cited 2021 Apr 11]. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=kent1606836665551399.

Council of Science Editors:

Bhandari S. AN ELECTRONIC STRUCTURE APPROACH TO UNDERSTAND CHARGE TRANSFERAND TRANSPORT IN ORGANIC SEMICONDUCTING MATERIALS. [Doctoral Dissertation]. Kent State University; 2020. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=kent1606836665551399


Vrije Universiteit Amsterdam

13. Meer, R. van. Physical Meaning of Orbitals in Adiabatic Linear Response Time-Dependent Orbital Functional Theories .

Degree: 2015, Vrije Universiteit Amsterdam

Subjects/Keywords: (Time-Dependent) Density Functional Theory; (Time-Dependent) Density Matrix Functional Theory

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APA (6th Edition):

Meer, R. v. (2015). Physical Meaning of Orbitals in Adiabatic Linear Response Time-Dependent Orbital Functional Theories . (Doctoral Dissertation). Vrije Universiteit Amsterdam. Retrieved from http://hdl.handle.net/1871/53347

Chicago Manual of Style (16th Edition):

Meer, R van. “Physical Meaning of Orbitals in Adiabatic Linear Response Time-Dependent Orbital Functional Theories .” 2015. Doctoral Dissertation, Vrije Universiteit Amsterdam. Accessed April 11, 2021. http://hdl.handle.net/1871/53347.

MLA Handbook (7th Edition):

Meer, R van. “Physical Meaning of Orbitals in Adiabatic Linear Response Time-Dependent Orbital Functional Theories .” 2015. Web. 11 Apr 2021.

Vancouver:

Meer Rv. Physical Meaning of Orbitals in Adiabatic Linear Response Time-Dependent Orbital Functional Theories . [Internet] [Doctoral dissertation]. Vrije Universiteit Amsterdam; 2015. [cited 2021 Apr 11]. Available from: http://hdl.handle.net/1871/53347.

Council of Science Editors:

Meer Rv. Physical Meaning of Orbitals in Adiabatic Linear Response Time-Dependent Orbital Functional Theories . [Doctoral Dissertation]. Vrije Universiteit Amsterdam; 2015. Available from: http://hdl.handle.net/1871/53347

14. Lacombe, Lionel. On dynamics beyond time-dependent mean-field theories : Dynamique au-delà des théories de champ moyen dépendant du temps.

Degree: Docteur es, Physique de la matière, 2016, Université Toulouse III – Paul Sabatier

Cette thèse présente différentes approches quantiques pour l'exploration de processus dynamiques dans des systèmes multiélectroniques, en particulier après une forte excitation qui peut aboutir à… (more)

Subjects/Keywords: Théorie de la fonctionnelle de la densité; Matrice densité; Extended time-dependent Hartree-Fock; Stochastic time-dependent Hartree-Fock; Collisional time-dependent Hartree-Fock; Effets dissipatifs; Au-delà du champ moyen; Density Functional Theory; Density Functional Theory; Density Functional Theory; Density Functional Theory; Density Functional Theory; Dissipative effects; Dissipative effects

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APA (6th Edition):

Lacombe, L. (2016). On dynamics beyond time-dependent mean-field theories : Dynamique au-delà des théories de champ moyen dépendant du temps. (Doctoral Dissertation). Université Toulouse III – Paul Sabatier. Retrieved from http://www.theses.fr/2016TOU30185

Chicago Manual of Style (16th Edition):

Lacombe, Lionel. “On dynamics beyond time-dependent mean-field theories : Dynamique au-delà des théories de champ moyen dépendant du temps.” 2016. Doctoral Dissertation, Université Toulouse III – Paul Sabatier. Accessed April 11, 2021. http://www.theses.fr/2016TOU30185.

MLA Handbook (7th Edition):

Lacombe, Lionel. “On dynamics beyond time-dependent mean-field theories : Dynamique au-delà des théories de champ moyen dépendant du temps.” 2016. Web. 11 Apr 2021.

Vancouver:

Lacombe L. On dynamics beyond time-dependent mean-field theories : Dynamique au-delà des théories de champ moyen dépendant du temps. [Internet] [Doctoral dissertation]. Université Toulouse III – Paul Sabatier; 2016. [cited 2021 Apr 11]. Available from: http://www.theses.fr/2016TOU30185.

Council of Science Editors:

Lacombe L. On dynamics beyond time-dependent mean-field theories : Dynamique au-delà des théories de champ moyen dépendant du temps. [Doctoral Dissertation]. Université Toulouse III – Paul Sabatier; 2016. Available from: http://www.theses.fr/2016TOU30185


Penn State University

15. Silverstein, Daniel William. Applications of Time-dependent Quantum Mechanics to Resonantly-enhanced Linear and Nonlinear Optical Processes.

Degree: 2013, Penn State University

 The interaction of radiation with matter allows many interesting properties of a molecule or material to be quantified. When the incident radiation is energetically tuned… (more)

Subjects/Keywords: Time-Dependent Density Functional Theory; Linear Optical Properties; Nonlinear Optical Properties; Raman Scattering

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APA (6th Edition):

Silverstein, D. W. (2013). Applications of Time-dependent Quantum Mechanics to Resonantly-enhanced Linear and Nonlinear Optical Processes. (Thesis). Penn State University. Retrieved from https://submit-etda.libraries.psu.edu/catalog/19001

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Silverstein, Daniel William. “Applications of Time-dependent Quantum Mechanics to Resonantly-enhanced Linear and Nonlinear Optical Processes.” 2013. Thesis, Penn State University. Accessed April 11, 2021. https://submit-etda.libraries.psu.edu/catalog/19001.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Silverstein, Daniel William. “Applications of Time-dependent Quantum Mechanics to Resonantly-enhanced Linear and Nonlinear Optical Processes.” 2013. Web. 11 Apr 2021.

Vancouver:

Silverstein DW. Applications of Time-dependent Quantum Mechanics to Resonantly-enhanced Linear and Nonlinear Optical Processes. [Internet] [Thesis]. Penn State University; 2013. [cited 2021 Apr 11]. Available from: https://submit-etda.libraries.psu.edu/catalog/19001.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Silverstein DW. Applications of Time-dependent Quantum Mechanics to Resonantly-enhanced Linear and Nonlinear Optical Processes. [Thesis]. Penn State University; 2013. Available from: https://submit-etda.libraries.psu.edu/catalog/19001

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


George Mason University

16. Massaro, Richard Douglas. Photoluminescent Organic Molecules from the Perspective of Density Functional Theory .

Degree: 2011, George Mason University

 I have studied the electronic structure, vibrational modes, and photophysics of methyl salicylate (MS) isomers in detail using density functional theory (DFT) and its timedependent… (more)

Subjects/Keywords: density functional theory; dipicolinic acid; photoluminescence; vibrational spectrum; methyl salicylate; time-dependent DFT

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APA (6th Edition):

Massaro, R. D. (2011). Photoluminescent Organic Molecules from the Perspective of Density Functional Theory . (Thesis). George Mason University. Retrieved from http://hdl.handle.net/1920/6314

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Massaro, Richard Douglas. “Photoluminescent Organic Molecules from the Perspective of Density Functional Theory .” 2011. Thesis, George Mason University. Accessed April 11, 2021. http://hdl.handle.net/1920/6314.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Massaro, Richard Douglas. “Photoluminescent Organic Molecules from the Perspective of Density Functional Theory .” 2011. Web. 11 Apr 2021.

Vancouver:

Massaro RD. Photoluminescent Organic Molecules from the Perspective of Density Functional Theory . [Internet] [Thesis]. George Mason University; 2011. [cited 2021 Apr 11]. Available from: http://hdl.handle.net/1920/6314.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Massaro RD. Photoluminescent Organic Molecules from the Perspective of Density Functional Theory . [Thesis]. George Mason University; 2011. Available from: http://hdl.handle.net/1920/6314

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of Notre Dame

17. Triet S. Nguyen-Beck. Development and Applications of the Real-Time Electronic Dynamics Method OSCF2</h1>.

Degree: Chemistry and Biochemistry, 2018, University of Notre Dame

  Many fundamental processes in nature and technology, from the electronic energy transfer in biological photosynthetic complexes to the charge mobility in solid-state photovoltaic devices,… (more)

Subjects/Keywords: Quantum dynamics; theoretical chemistry; quantum chemistry; Time-dependent density functional theory; physical chemistry; computational chemistry

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APA (6th Edition):

Nguyen-Beck, T. S. (2018). Development and Applications of the Real-Time Electronic Dynamics Method OSCF2</h1>. (Thesis). University of Notre Dame. Retrieved from https://curate.nd.edu/show/gm80ht27s6q

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Nguyen-Beck, Triet S.. “Development and Applications of the Real-Time Electronic Dynamics Method OSCF2</h1>.” 2018. Thesis, University of Notre Dame. Accessed April 11, 2021. https://curate.nd.edu/show/gm80ht27s6q.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Nguyen-Beck, Triet S.. “Development and Applications of the Real-Time Electronic Dynamics Method OSCF2</h1>.” 2018. Web. 11 Apr 2021.

Vancouver:

Nguyen-Beck TS. Development and Applications of the Real-Time Electronic Dynamics Method OSCF2</h1>. [Internet] [Thesis]. University of Notre Dame; 2018. [cited 2021 Apr 11]. Available from: https://curate.nd.edu/show/gm80ht27s6q.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Nguyen-Beck TS. Development and Applications of the Real-Time Electronic Dynamics Method OSCF2</h1>. [Thesis]. University of Notre Dame; 2018. Available from: https://curate.nd.edu/show/gm80ht27s6q

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


Kansas State University

18. Karimova, Natalia Vladimirovna. Theoretical study of the optical properties of the noble metal nanoparticles: CD and MCD spectroscopy.

Degree: PhD, Department of Chemistry, 2017, Kansas State University

 Gold and silver particles with dimensions less than a nanometer possess unique characteristics and properties that are different from the properties of the bulk. They… (more)

Subjects/Keywords: Time-dependent density functional theory; Optical properties; Gold nanoparticles; Silver nanoparticles; Chirality; Localized surface plasmon

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APA (6th Edition):

Karimova, N. V. (2017). Theoretical study of the optical properties of the noble metal nanoparticles: CD and MCD spectroscopy. (Doctoral Dissertation). Kansas State University. Retrieved from http://hdl.handle.net/2097/38177

Chicago Manual of Style (16th Edition):

Karimova, Natalia Vladimirovna. “Theoretical study of the optical properties of the noble metal nanoparticles: CD and MCD spectroscopy.” 2017. Doctoral Dissertation, Kansas State University. Accessed April 11, 2021. http://hdl.handle.net/2097/38177.

MLA Handbook (7th Edition):

Karimova, Natalia Vladimirovna. “Theoretical study of the optical properties of the noble metal nanoparticles: CD and MCD spectroscopy.” 2017. Web. 11 Apr 2021.

Vancouver:

Karimova NV. Theoretical study of the optical properties of the noble metal nanoparticles: CD and MCD spectroscopy. [Internet] [Doctoral dissertation]. Kansas State University; 2017. [cited 2021 Apr 11]. Available from: http://hdl.handle.net/2097/38177.

Council of Science Editors:

Karimova NV. Theoretical study of the optical properties of the noble metal nanoparticles: CD and MCD spectroscopy. [Doctoral Dissertation]. Kansas State University; 2017. Available from: http://hdl.handle.net/2097/38177


Kansas State University

19. Weerawardene, K. L. Dimuthu M. Optical and luminescence properties of noble metal nanoparticles.

Degree: PhD, Department of Chemistry, 2017, Kansas State University

 The remarkable optical and luminescence properties of noble metal nanoparticles (with diameters < 2 nm) attract researchers due to potential applications in biomedicine, photocatalysis, and… (more)

Subjects/Keywords: Gold and Silver nanoparticles; Luminescence; Time-dependent density functional theory; Optical properties

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APA (6th Edition):

Weerawardene, K. L. D. M. (2017). Optical and luminescence properties of noble metal nanoparticles. (Doctoral Dissertation). Kansas State University. Retrieved from http://hdl.handle.net/2097/38189

Chicago Manual of Style (16th Edition):

Weerawardene, K L Dimuthu M. “Optical and luminescence properties of noble metal nanoparticles.” 2017. Doctoral Dissertation, Kansas State University. Accessed April 11, 2021. http://hdl.handle.net/2097/38189.

MLA Handbook (7th Edition):

Weerawardene, K L Dimuthu M. “Optical and luminescence properties of noble metal nanoparticles.” 2017. Web. 11 Apr 2021.

Vancouver:

Weerawardene KLDM. Optical and luminescence properties of noble metal nanoparticles. [Internet] [Doctoral dissertation]. Kansas State University; 2017. [cited 2021 Apr 11]. Available from: http://hdl.handle.net/2097/38189.

Council of Science Editors:

Weerawardene KLDM. Optical and luminescence properties of noble metal nanoparticles. [Doctoral Dissertation]. Kansas State University; 2017. Available from: http://hdl.handle.net/2097/38189


University of Michigan

20. Kanungo, Bikash. All-Electron Ground-State and Time-Dependent Density Functional Theory: Fast Algorithms and Better Approximations.

Degree: PhD, Mechanical Engineering, 2019, University of Michigan

Density functional theory (DFT), in its ground-state as well as time-dependent variant, have enjoyed incredible success in predicting a range of physical, chemical and materials… (more)

Subjects/Keywords: Density functional theory; Time dependent density functional theory; All electron density functional theory; Inverse density functional theory; Exchange-correlation; Electronic structure; Materials Science and Engineering; Mechanical Engineering; Chemistry; Mathematics; Physics; Engineering; Science

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APA (6th Edition):

Kanungo, B. (2019). All-Electron Ground-State and Time-Dependent Density Functional Theory: Fast Algorithms and Better Approximations. (Doctoral Dissertation). University of Michigan. Retrieved from http://hdl.handle.net/2027.42/153371

Chicago Manual of Style (16th Edition):

Kanungo, Bikash. “All-Electron Ground-State and Time-Dependent Density Functional Theory: Fast Algorithms and Better Approximations.” 2019. Doctoral Dissertation, University of Michigan. Accessed April 11, 2021. http://hdl.handle.net/2027.42/153371.

MLA Handbook (7th Edition):

Kanungo, Bikash. “All-Electron Ground-State and Time-Dependent Density Functional Theory: Fast Algorithms and Better Approximations.” 2019. Web. 11 Apr 2021.

Vancouver:

Kanungo B. All-Electron Ground-State and Time-Dependent Density Functional Theory: Fast Algorithms and Better Approximations. [Internet] [Doctoral dissertation]. University of Michigan; 2019. [cited 2021 Apr 11]. Available from: http://hdl.handle.net/2027.42/153371.

Council of Science Editors:

Kanungo B. All-Electron Ground-State and Time-Dependent Density Functional Theory: Fast Algorithms and Better Approximations. [Doctoral Dissertation]. University of Michigan; 2019. Available from: http://hdl.handle.net/2027.42/153371


The Ohio State University

21. Drummond, Michael L. Denisty functional theory investigations of the ground- and excited-state chemistry of dinuclear organometallic carbonyls.

Degree: PhD, Chemistry, 2005, The Ohio State University

 In this dissertation, various dinuclear organometallic carbonyls (DOCs) – that is, compounds containing two metal atom centers, each bonded to one or more CO ligands… (more)

Subjects/Keywords: Computational Chemistry; Inorganic Chemistry; Density Functional Theory; Photochemistry; Time-Dependent Density Functional Theory

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APA (6th Edition):

Drummond, M. L. (2005). Denisty functional theory investigations of the ground- and excited-state chemistry of dinuclear organometallic carbonyls. (Doctoral Dissertation). The Ohio State University. Retrieved from http://rave.ohiolink.edu/etdc/view?acc_num=osu1104284754

Chicago Manual of Style (16th Edition):

Drummond, Michael L. “Denisty functional theory investigations of the ground- and excited-state chemistry of dinuclear organometallic carbonyls.” 2005. Doctoral Dissertation, The Ohio State University. Accessed April 11, 2021. http://rave.ohiolink.edu/etdc/view?acc_num=osu1104284754.

MLA Handbook (7th Edition):

Drummond, Michael L. “Denisty functional theory investigations of the ground- and excited-state chemistry of dinuclear organometallic carbonyls.” 2005. Web. 11 Apr 2021.

Vancouver:

Drummond ML. Denisty functional theory investigations of the ground- and excited-state chemistry of dinuclear organometallic carbonyls. [Internet] [Doctoral dissertation]. The Ohio State University; 2005. [cited 2021 Apr 11]. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=osu1104284754.

Council of Science Editors:

Drummond ML. Denisty functional theory investigations of the ground- and excited-state chemistry of dinuclear organometallic carbonyls. [Doctoral Dissertation]. The Ohio State University; 2005. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=osu1104284754


Freie Universität Berlin

22. Singh, Nisha. Ab-initio-Studie von Magnonen in linearen und nichtlinearen Regimen.

Degree: 2019, Freie Universität Berlin

 Niederenergetische Anregungen (<1 eV) sind für das Verständnis der elektronischen, mag- netischen und thermodynamischen Eigenschaften eines Materials von größter Bedeutung. Die kollektiven Anregungen des Spins… (more)

Subjects/Keywords: Time-Dependent Density Functional Theory; Magnons; Magnon manipulation with laser; 500 Natural sciences and mathematics::530 Physics::538 Magnetism

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APA (6th Edition):

Singh, N. (2019). Ab-initio-Studie von Magnonen in linearen und nichtlinearen Regimen. (Thesis). Freie Universität Berlin. Retrieved from http://dx.doi.org/10.17169/refubium-25791

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Singh, Nisha. “Ab-initio-Studie von Magnonen in linearen und nichtlinearen Regimen.” 2019. Thesis, Freie Universität Berlin. Accessed April 11, 2021. http://dx.doi.org/10.17169/refubium-25791.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Singh, Nisha. “Ab-initio-Studie von Magnonen in linearen und nichtlinearen Regimen.” 2019. Web. 11 Apr 2021.

Vancouver:

Singh N. Ab-initio-Studie von Magnonen in linearen und nichtlinearen Regimen. [Internet] [Thesis]. Freie Universität Berlin; 2019. [cited 2021 Apr 11]. Available from: http://dx.doi.org/10.17169/refubium-25791.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Singh N. Ab-initio-Studie von Magnonen in linearen und nichtlinearen Regimen. [Thesis]. Freie Universität Berlin; 2019. Available from: http://dx.doi.org/10.17169/refubium-25791

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

23. Sinha Roy, Rajarshi. Ab initio simulation of optical properties of noble-metal clusters : Modélisation des propriétés optiques de nanoparticules métalliques.

Degree: Docteur es, Sciences des Matériaux, Physique, Chimie et Nanosciences, 2018, Aix-Marseille; Universidad autónoma de Madrid. Departamento de Física Teórica

L'intérêt de la recherche fondamentale pour les morceaux nanométriques de métaux nobles est principalement dû à la résonance localisée des plasmons de surface (LSPR) dans… (more)

Subjects/Keywords: .; Localized plasmon resonance; D-Electron excitations; Time-Dependent density−functional theory; Ab initio methods; Classical optics; Nanorod; Atomic chain; 530

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APA (6th Edition):

Sinha Roy, R. (2018). Ab initio simulation of optical properties of noble-metal clusters : Modélisation des propriétés optiques de nanoparticules métalliques. (Doctoral Dissertation). Aix-Marseille; Universidad autónoma de Madrid. Departamento de Física Teórica. Retrieved from http://www.theses.fr/2018AIXM0017

Chicago Manual of Style (16th Edition):

Sinha Roy, Rajarshi. “Ab initio simulation of optical properties of noble-metal clusters : Modélisation des propriétés optiques de nanoparticules métalliques.” 2018. Doctoral Dissertation, Aix-Marseille; Universidad autónoma de Madrid. Departamento de Física Teórica. Accessed April 11, 2021. http://www.theses.fr/2018AIXM0017.

MLA Handbook (7th Edition):

Sinha Roy, Rajarshi. “Ab initio simulation of optical properties of noble-metal clusters : Modélisation des propriétés optiques de nanoparticules métalliques.” 2018. Web. 11 Apr 2021.

Vancouver:

Sinha Roy R. Ab initio simulation of optical properties of noble-metal clusters : Modélisation des propriétés optiques de nanoparticules métalliques. [Internet] [Doctoral dissertation]. Aix-Marseille; Universidad autónoma de Madrid. Departamento de Física Teórica; 2018. [cited 2021 Apr 11]. Available from: http://www.theses.fr/2018AIXM0017.

Council of Science Editors:

Sinha Roy R. Ab initio simulation of optical properties of noble-metal clusters : Modélisation des propriétés optiques de nanoparticules métalliques. [Doctoral Dissertation]. Aix-Marseille; Universidad autónoma de Madrid. Departamento de Física Teórica; 2018. Available from: http://www.theses.fr/2018AIXM0017


University of Lund

24. Vettchinkina, Valeria. Transport phenomena in quantum wells and wires in presence of disorder and interactions.

Degree: 2012, University of Lund

 Present-day electronics employ circuits of smaller and smaller dimensions, and today the length scales are so small that the laws of physics which rule micro-cosmos,… (more)

Subjects/Keywords: Condensed Matter Physics; time-dependent density-functional theory; disorder; electron correlation; Lowdimensional semiconducting systems; transport phenomena; Fysicumarkivet F:2012:Vettchinkina

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APA (6th Edition):

Vettchinkina, V. (2012). Transport phenomena in quantum wells and wires in presence of disorder and interactions. (Doctoral Dissertation). University of Lund. Retrieved from https://lup.lub.lu.se/record/2520291 ; https://portal.research.lu.se/ws/files/5700002/2520352.pdf

Chicago Manual of Style (16th Edition):

Vettchinkina, Valeria. “Transport phenomena in quantum wells and wires in presence of disorder and interactions.” 2012. Doctoral Dissertation, University of Lund. Accessed April 11, 2021. https://lup.lub.lu.se/record/2520291 ; https://portal.research.lu.se/ws/files/5700002/2520352.pdf.

MLA Handbook (7th Edition):

Vettchinkina, Valeria. “Transport phenomena in quantum wells and wires in presence of disorder and interactions.” 2012. Web. 11 Apr 2021.

Vancouver:

Vettchinkina V. Transport phenomena in quantum wells and wires in presence of disorder and interactions. [Internet] [Doctoral dissertation]. University of Lund; 2012. [cited 2021 Apr 11]. Available from: https://lup.lub.lu.se/record/2520291 ; https://portal.research.lu.se/ws/files/5700002/2520352.pdf.

Council of Science Editors:

Vettchinkina V. Transport phenomena in quantum wells and wires in presence of disorder and interactions. [Doctoral Dissertation]. University of Lund; 2012. Available from: https://lup.lub.lu.se/record/2520291 ; https://portal.research.lu.se/ws/files/5700002/2520352.pdf


University of Tennessee – Knoxville

25. Van Wesep, Robert Gerard. Optical Spectroscopy and the Contruction of an Optimal Wannier Basis with Application to the Development of <i>Ab Initio</i> Models.

Degree: 2016, University of Tennessee – Knoxville

 Understanding the role of local orbital degrees of freedom in the behavior of solid state systems has long been understood as a key to unraveling… (more)

Subjects/Keywords: Solid State Physics; Condensed Matter Physics; Time-Dependent Density Functional Theory; Wannier Functions; Copper Oxides; Iron-based Superconductors; Condensed Matter Physics

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APA (6th Edition):

Van Wesep, R. G. (2016). Optical Spectroscopy and the Contruction of an Optimal Wannier Basis with Application to the Development of <i>Ab Initio</i> Models. (Doctoral Dissertation). University of Tennessee – Knoxville. Retrieved from https://trace.tennessee.edu/utk_graddiss/4112

Chicago Manual of Style (16th Edition):

Van Wesep, Robert Gerard. “Optical Spectroscopy and the Contruction of an Optimal Wannier Basis with Application to the Development of <i>Ab Initio</i> Models.” 2016. Doctoral Dissertation, University of Tennessee – Knoxville. Accessed April 11, 2021. https://trace.tennessee.edu/utk_graddiss/4112.

MLA Handbook (7th Edition):

Van Wesep, Robert Gerard. “Optical Spectroscopy and the Contruction of an Optimal Wannier Basis with Application to the Development of <i>Ab Initio</i> Models.” 2016. Web. 11 Apr 2021.

Vancouver:

Van Wesep RG. Optical Spectroscopy and the Contruction of an Optimal Wannier Basis with Application to the Development of <i>Ab Initio</i> Models. [Internet] [Doctoral dissertation]. University of Tennessee – Knoxville; 2016. [cited 2021 Apr 11]. Available from: https://trace.tennessee.edu/utk_graddiss/4112.

Council of Science Editors:

Van Wesep RG. Optical Spectroscopy and the Contruction of an Optimal Wannier Basis with Application to the Development of <i>Ab Initio</i> Models. [Doctoral Dissertation]. University of Tennessee – Knoxville; 2016. Available from: https://trace.tennessee.edu/utk_graddiss/4112


University of Washington

26. Ding, Feizhi. Towards Efficient and Accurate Description of Many-Electron Problems: Developments of Static and Time-Dependent Electronic Structure Methods.

Degree: PhD, 2015, University of Washington

 Understanding electronic behavior in molecular and nano-scale systems is fundamental to the development and design of novel technologies and materials for application in a variety… (more)

Subjects/Keywords: Density Functional Theory; Electronic Structure Theory; Hartree-Fock; Many-electron dynamics; Multi-Configuration Self-Consistent Field Theory; Time-dependent; Chemistry; Physical chemistry; chemistry

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APA (6th Edition):

Ding, F. (2015). Towards Efficient and Accurate Description of Many-Electron Problems: Developments of Static and Time-Dependent Electronic Structure Methods. (Doctoral Dissertation). University of Washington. Retrieved from http://hdl.handle.net/1773/33655

Chicago Manual of Style (16th Edition):

Ding, Feizhi. “Towards Efficient and Accurate Description of Many-Electron Problems: Developments of Static and Time-Dependent Electronic Structure Methods.” 2015. Doctoral Dissertation, University of Washington. Accessed April 11, 2021. http://hdl.handle.net/1773/33655.

MLA Handbook (7th Edition):

Ding, Feizhi. “Towards Efficient and Accurate Description of Many-Electron Problems: Developments of Static and Time-Dependent Electronic Structure Methods.” 2015. Web. 11 Apr 2021.

Vancouver:

Ding F. Towards Efficient and Accurate Description of Many-Electron Problems: Developments of Static and Time-Dependent Electronic Structure Methods. [Internet] [Doctoral dissertation]. University of Washington; 2015. [cited 2021 Apr 11]. Available from: http://hdl.handle.net/1773/33655.

Council of Science Editors:

Ding F. Towards Efficient and Accurate Description of Many-Electron Problems: Developments of Static and Time-Dependent Electronic Structure Methods. [Doctoral Dissertation]. University of Washington; 2015. Available from: http://hdl.handle.net/1773/33655


Penn State University

27. Hu, Zhongwei. ATOMISTIC ELECTRODYNAMICS-QUANTUM MECHANICAL METHODS TO MODEL SURFACE-ENHANCED NONLINEAR OPTICAL SPECTROSCOPIES.

Degree: 2017, Penn State University

 Spectroscopy, the study of interactions between radiation and matter, often becomes more complicated for intense radiation due to the cause of nonlinearity. At the molecular… (more)

Subjects/Keywords: Time-Dependent Density Functional Theory; Damped Response Theory; Nonlinear Optical Properties; Hyper-Rayleigh Scattering; Hyper-Raman Scattering; Two-Photon Absorption; Surface-Enhanced Hyper-Raman Scattering

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APA (6th Edition):

Hu, Z. (2017). ATOMISTIC ELECTRODYNAMICS-QUANTUM MECHANICAL METHODS TO MODEL SURFACE-ENHANCED NONLINEAR OPTICAL SPECTROSCOPIES. (Thesis). Penn State University. Retrieved from https://submit-etda.libraries.psu.edu/catalog/14557zxh120

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Hu, Zhongwei. “ATOMISTIC ELECTRODYNAMICS-QUANTUM MECHANICAL METHODS TO MODEL SURFACE-ENHANCED NONLINEAR OPTICAL SPECTROSCOPIES.” 2017. Thesis, Penn State University. Accessed April 11, 2021. https://submit-etda.libraries.psu.edu/catalog/14557zxh120.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Hu, Zhongwei. “ATOMISTIC ELECTRODYNAMICS-QUANTUM MECHANICAL METHODS TO MODEL SURFACE-ENHANCED NONLINEAR OPTICAL SPECTROSCOPIES.” 2017. Web. 11 Apr 2021.

Vancouver:

Hu Z. ATOMISTIC ELECTRODYNAMICS-QUANTUM MECHANICAL METHODS TO MODEL SURFACE-ENHANCED NONLINEAR OPTICAL SPECTROSCOPIES. [Internet] [Thesis]. Penn State University; 2017. [cited 2021 Apr 11]. Available from: https://submit-etda.libraries.psu.edu/catalog/14557zxh120.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Hu Z. ATOMISTIC ELECTRODYNAMICS-QUANTUM MECHANICAL METHODS TO MODEL SURFACE-ENHANCED NONLINEAR OPTICAL SPECTROSCOPIES. [Thesis]. Penn State University; 2017. Available from: https://submit-etda.libraries.psu.edu/catalog/14557zxh120

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

28. Magero, Denis. Electrochemical and photochemical studies of some remarkable ruthenium complexes : Etude théorique des propriétés électro et photochimique des complexes de ruthénium.

Degree: Docteur es, Chimie physique moléculaire et structurale, 2017, Université Grenoble Alpes (ComUE)

Cette thèse fait partie d’un projet franco-keyan dénommé ELEPHOX (ELEctrochemical and PHOto Properties of Some Remarkable Ruthenium and Iron CompleXes). En particulier, notre focus est… (more)

Subjects/Keywords: Photochimie; Chimie Quantique; Complexes polypyridine de ruthénium; Densité d'états partielle; Théorie de la fonctionnelle de la densité; Théorie de la fonctionnelle de la densité dépendante du temps; Photochemistry; Quantum Chemistry; Polypyridine ruthenium complexes; Partial density of states; Density-Functional theory; Time-Dependent density-Functional theory; 540; 530

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APA (6th Edition):

Magero, D. (2017). Electrochemical and photochemical studies of some remarkable ruthenium complexes : Etude théorique des propriétés électro et photochimique des complexes de ruthénium. (Doctoral Dissertation). Université Grenoble Alpes (ComUE). Retrieved from http://www.theses.fr/2017GREAV071

Chicago Manual of Style (16th Edition):

Magero, Denis. “Electrochemical and photochemical studies of some remarkable ruthenium complexes : Etude théorique des propriétés électro et photochimique des complexes de ruthénium.” 2017. Doctoral Dissertation, Université Grenoble Alpes (ComUE). Accessed April 11, 2021. http://www.theses.fr/2017GREAV071.

MLA Handbook (7th Edition):

Magero, Denis. “Electrochemical and photochemical studies of some remarkable ruthenium complexes : Etude théorique des propriétés électro et photochimique des complexes de ruthénium.” 2017. Web. 11 Apr 2021.

Vancouver:

Magero D. Electrochemical and photochemical studies of some remarkable ruthenium complexes : Etude théorique des propriétés électro et photochimique des complexes de ruthénium. [Internet] [Doctoral dissertation]. Université Grenoble Alpes (ComUE); 2017. [cited 2021 Apr 11]. Available from: http://www.theses.fr/2017GREAV071.

Council of Science Editors:

Magero D. Electrochemical and photochemical studies of some remarkable ruthenium complexes : Etude théorique des propriétés électro et photochimique des complexes de ruthénium. [Doctoral Dissertation]. Université Grenoble Alpes (ComUE); 2017. Available from: http://www.theses.fr/2017GREAV071


University of California – San Diego

29. Freeman, Lindsay Michelle. Chemical Resonance Effects in Surface-enhanced Raman Scattering of Nucleic Acid-Silver Composites.

Degree: Chemical Engineering, 2016, University of California – San Diego

 Although surface-enhanced Raman spectroscopy (SERS) has been a valuable tool for chemical detection, the understanding of the contributions of the chemical enhancement effect in nucleic… (more)

Subjects/Keywords: Chemical engineering; Optics; Electrical engineering; charge-transfer; nucleic acids; raman spectroscopy; silver composites; surface-enhanced raman spectroscopy; time-dependent density functional theory

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Freeman, L. M. (2016). Chemical Resonance Effects in Surface-enhanced Raman Scattering of Nucleic Acid-Silver Composites. (Thesis). University of California – San Diego. Retrieved from http://www.escholarship.org/uc/item/523837fk

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Freeman, Lindsay Michelle. “Chemical Resonance Effects in Surface-enhanced Raman Scattering of Nucleic Acid-Silver Composites.” 2016. Thesis, University of California – San Diego. Accessed April 11, 2021. http://www.escholarship.org/uc/item/523837fk.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Freeman, Lindsay Michelle. “Chemical Resonance Effects in Surface-enhanced Raman Scattering of Nucleic Acid-Silver Composites.” 2016. Web. 11 Apr 2021.

Vancouver:

Freeman LM. Chemical Resonance Effects in Surface-enhanced Raman Scattering of Nucleic Acid-Silver Composites. [Internet] [Thesis]. University of California – San Diego; 2016. [cited 2021 Apr 11]. Available from: http://www.escholarship.org/uc/item/523837fk.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Freeman LM. Chemical Resonance Effects in Surface-enhanced Raman Scattering of Nucleic Acid-Silver Composites. [Thesis]. University of California – San Diego; 2016. Available from: http://www.escholarship.org/uc/item/523837fk

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

30. M. Bonfanti. REACTIONS AT SURFACES: BEYOND THE STATIC SURFACE APPROACH IN QUANTUM DYNAMICS.

Degree: 2012, Università degli Studi di Milano

 Thanks to the peculiar electronic properties of gas-solid interfaces, surfaces play an important role in many chemical processes. In my thesis, I considered few different… (more)

Subjects/Keywords: surface science; dissociative chemisorption; Eley-Rideal; vibrational relaxation; atomic sticking; hydrogen; Cu(111); graphite; density functional theory; time-dependent wavepacket dynamics; Settore CHIM/02 - Chimica Fisica

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Bonfanti, M. (2012). REACTIONS AT SURFACES: BEYOND THE STATIC SURFACE APPROACH IN QUANTUM DYNAMICS. (Thesis). Università degli Studi di Milano. Retrieved from http://hdl.handle.net/2434/167911

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Bonfanti, M.. “REACTIONS AT SURFACES: BEYOND THE STATIC SURFACE APPROACH IN QUANTUM DYNAMICS.” 2012. Thesis, Università degli Studi di Milano. Accessed April 11, 2021. http://hdl.handle.net/2434/167911.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Bonfanti, M.. “REACTIONS AT SURFACES: BEYOND THE STATIC SURFACE APPROACH IN QUANTUM DYNAMICS.” 2012. Web. 11 Apr 2021.

Vancouver:

Bonfanti M. REACTIONS AT SURFACES: BEYOND THE STATIC SURFACE APPROACH IN QUANTUM DYNAMICS. [Internet] [Thesis]. Università degli Studi di Milano; 2012. [cited 2021 Apr 11]. Available from: http://hdl.handle.net/2434/167911.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Bonfanti M. REACTIONS AT SURFACES: BEYOND THE STATIC SURFACE APPROACH IN QUANTUM DYNAMICS. [Thesis]. Università degli Studi di Milano; 2012. Available from: http://hdl.handle.net/2434/167911

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

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