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You searched for subject:(Density functionals). Showing records 1 – 30 of 162 total matches.

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University of Hong Kong

1. Zhang, Xiting. Density functional theory studies of selected benzophenones and anthraquinones in neutral aqueous solutions.

Degree: PhD, 2017, University of Hong Kong

Density functional theory combined with time-resolved transient absorption and resonance Raman spectrums, were employed to investigate the lowest triplet state and the photochemical mechanisms for… (more)

Subjects/Keywords: Anthraquinones; Benzoates; Density functionals

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APA (6th Edition):

Zhang, X. (2017). Density functional theory studies of selected benzophenones and anthraquinones in neutral aqueous solutions. (Doctoral Dissertation). University of Hong Kong. Retrieved from http://hdl.handle.net/10722/249849

Chicago Manual of Style (16th Edition):

Zhang, Xiting. “Density functional theory studies of selected benzophenones and anthraquinones in neutral aqueous solutions.” 2017. Doctoral Dissertation, University of Hong Kong. Accessed March 30, 2020. http://hdl.handle.net/10722/249849.

MLA Handbook (7th Edition):

Zhang, Xiting. “Density functional theory studies of selected benzophenones and anthraquinones in neutral aqueous solutions.” 2017. Web. 30 Mar 2020.

Vancouver:

Zhang X. Density functional theory studies of selected benzophenones and anthraquinones in neutral aqueous solutions. [Internet] [Doctoral dissertation]. University of Hong Kong; 2017. [cited 2020 Mar 30]. Available from: http://hdl.handle.net/10722/249849.

Council of Science Editors:

Zhang X. Density functional theory studies of selected benzophenones and anthraquinones in neutral aqueous solutions. [Doctoral Dissertation]. University of Hong Kong; 2017. Available from: http://hdl.handle.net/10722/249849


Oregon State University

2. Albus, Alexander P. Immersion energies of atoms in jellium.

Degree: MS, Physics, 1999, Oregon State University

 Immersion energies of atoms in a jellium environment were calculated using density functional theory and the Kohn-Sham (KS) equations. It was found that the KS… (more)

Subjects/Keywords: Density functionals

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APA (6th Edition):

Albus, A. P. (1999). Immersion energies of atoms in jellium. (Masters Thesis). Oregon State University. Retrieved from http://hdl.handle.net/1957/33484

Chicago Manual of Style (16th Edition):

Albus, Alexander P. “Immersion energies of atoms in jellium.” 1999. Masters Thesis, Oregon State University. Accessed March 30, 2020. http://hdl.handle.net/1957/33484.

MLA Handbook (7th Edition):

Albus, Alexander P. “Immersion energies of atoms in jellium.” 1999. Web. 30 Mar 2020.

Vancouver:

Albus AP. Immersion energies of atoms in jellium. [Internet] [Masters thesis]. Oregon State University; 1999. [cited 2020 Mar 30]. Available from: http://hdl.handle.net/1957/33484.

Council of Science Editors:

Albus AP. Immersion energies of atoms in jellium. [Masters Thesis]. Oregon State University; 1999. Available from: http://hdl.handle.net/1957/33484


Drexel University

3. Charles, Nenian. Towards Rational Design of Functional Fluoride and Oxyfluoride Materials from First Principles.

Degree: 2017, Drexel University

Complex transition metal compounds (TMCs) research has produced functional materials with a range of properties, including ferroelectricity, colossal magnetoresistance, nonlinear optical activity and high-temperature superconductivity.… (more)

Subjects/Keywords: Materials science; Density functionals; Fluorides

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APA (6th Edition):

Charles, N. (2017). Towards Rational Design of Functional Fluoride and Oxyfluoride Materials from First Principles. (Thesis). Drexel University. Retrieved from http://hdl.handle.net/1860/idea:7532

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):

Charles, Nenian. “Towards Rational Design of Functional Fluoride and Oxyfluoride Materials from First Principles.” 2017. Thesis, Drexel University. Accessed March 30, 2020. http://hdl.handle.net/1860/idea:7532.

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

MLA Handbook (7th Edition):

Charles, Nenian. “Towards Rational Design of Functional Fluoride and Oxyfluoride Materials from First Principles.” 2017. Web. 30 Mar 2020.

Vancouver:

Charles N. Towards Rational Design of Functional Fluoride and Oxyfluoride Materials from First Principles. [Internet] [Thesis]. Drexel University; 2017. [cited 2020 Mar 30]. Available from: http://hdl.handle.net/1860/idea:7532.

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

Council of Science Editors:

Charles N. Towards Rational Design of Functional Fluoride and Oxyfluoride Materials from First Principles. [Thesis]. Drexel University; 2017. Available from: http://hdl.handle.net/1860/idea:7532

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


Rutgers University

4. Coh, Sinisa, 1983-. Electronic structure theory: applications and geometrical aspects.

Degree: Physics and Astronomy, 2011, Rutgers University

Subjects/Keywords: Density functionals

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APA (6th Edition):

Coh, Sinisa, 1. (2011). Electronic structure theory: applications and geometrical aspects. (Thesis). Rutgers University. Retrieved from http://hdl.rutgers.edu/1782.1/rucore10001600001.ETD.000063360

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):

Coh, Sinisa, 1983-. “Electronic structure theory: applications and geometrical aspects.” 2011. Thesis, Rutgers University. Accessed March 30, 2020. http://hdl.rutgers.edu/1782.1/rucore10001600001.ETD.000063360.

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

MLA Handbook (7th Edition):

Coh, Sinisa, 1983-. “Electronic structure theory: applications and geometrical aspects.” 2011. Web. 30 Mar 2020.

Vancouver:

Coh, Sinisa 1. Electronic structure theory: applications and geometrical aspects. [Internet] [Thesis]. Rutgers University; 2011. [cited 2020 Mar 30]. Available from: http://hdl.rutgers.edu/1782.1/rucore10001600001.ETD.000063360.

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

Council of Science Editors:

Coh, Sinisa 1. Electronic structure theory: applications and geometrical aspects. [Thesis]. Rutgers University; 2011. Available from: http://hdl.rutgers.edu/1782.1/rucore10001600001.ETD.000063360

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

5. Zhou, Tian, 1990-. Computational study of pincer iridium catalytic systems: C-H, N-H, and C-C bond activation and C-C coupling reactions.

Degree: PhD, Chemistry and Chemical Biology, 2017, Rutgers University

Computational chemistry has achieved vast progress in the last decades in the field, which was considered to be only experimental before. DFT (density functional theory)… (more)

Subjects/Keywords: Density functionals; Catalysts; Iridium

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APA (6th Edition):

Zhou, Tian, 1. (2017). Computational study of pincer iridium catalytic systems: C-H, N-H, and C-C bond activation and C-C coupling reactions. (Doctoral Dissertation). Rutgers University. Retrieved from https://rucore.libraries.rutgers.edu/rutgers-lib/54059/

Chicago Manual of Style (16th Edition):

Zhou, Tian, 1990-. “Computational study of pincer iridium catalytic systems: C-H, N-H, and C-C bond activation and C-C coupling reactions.” 2017. Doctoral Dissertation, Rutgers University. Accessed March 30, 2020. https://rucore.libraries.rutgers.edu/rutgers-lib/54059/.

MLA Handbook (7th Edition):

Zhou, Tian, 1990-. “Computational study of pincer iridium catalytic systems: C-H, N-H, and C-C bond activation and C-C coupling reactions.” 2017. Web. 30 Mar 2020.

Vancouver:

Zhou, Tian 1. Computational study of pincer iridium catalytic systems: C-H, N-H, and C-C bond activation and C-C coupling reactions. [Internet] [Doctoral dissertation]. Rutgers University; 2017. [cited 2020 Mar 30]. Available from: https://rucore.libraries.rutgers.edu/rutgers-lib/54059/.

Council of Science Editors:

Zhou, Tian 1. Computational study of pincer iridium catalytic systems: C-H, N-H, and C-C bond activation and C-C coupling reactions. [Doctoral Dissertation]. Rutgers University; 2017. Available from: https://rucore.libraries.rutgers.edu/rutgers-lib/54059/


Drexel University

6. Cordi, Adam M. Atomic ordering effects on (LaCrO3)n/(LaFeO3)n perovskite superlattices for solar absorption.

Degree: 2014, Drexel University

Due to the ever-increasing energy demand and heavy dependence on non-renewable resources, the search for an economically competitive renewable energy resource is at an all-time… (more)

Subjects/Keywords: Materials science; Density functionals; Perovskite

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APA (6th Edition):

Cordi, A. M. (2014). Atomic ordering effects on (LaCrO3)n/(LaFeO3)n perovskite superlattices for solar absorption. (Thesis). Drexel University. Retrieved from http://hdl.handle.net/1860/4458

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):

Cordi, Adam M. “Atomic ordering effects on (LaCrO3)n/(LaFeO3)n perovskite superlattices for solar absorption.” 2014. Thesis, Drexel University. Accessed March 30, 2020. http://hdl.handle.net/1860/4458.

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

MLA Handbook (7th Edition):

Cordi, Adam M. “Atomic ordering effects on (LaCrO3)n/(LaFeO3)n perovskite superlattices for solar absorption.” 2014. Web. 30 Mar 2020.

Vancouver:

Cordi AM. Atomic ordering effects on (LaCrO3)n/(LaFeO3)n perovskite superlattices for solar absorption. [Internet] [Thesis]. Drexel University; 2014. [cited 2020 Mar 30]. Available from: http://hdl.handle.net/1860/4458.

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

Council of Science Editors:

Cordi AM. Atomic ordering effects on (LaCrO3)n/(LaFeO3)n perovskite superlattices for solar absorption. [Thesis]. Drexel University; 2014. Available from: http://hdl.handle.net/1860/4458

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

7. Ferris, Kaelyn. Investigating the electronic and structural properties of stanene.

Degree: Thesis (M.S.), 2018, Ball State University

 This study investigates the structural and electronic properties of two-dimensional tin, known as stanene, under compressive biaxial strain using Density Functional Theory (DFT). Stanene possesses… (more)

Subjects/Keywords: Tin.; Monomolecular films.; Density functionals.

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APA (6th Edition):

Ferris, K. (2018). Investigating the electronic and structural properties of stanene. (Masters Thesis). Ball State University. Retrieved from http://cardinalscholar.bsu.edu/handle/123456789/201132

Chicago Manual of Style (16th Edition):

Ferris, Kaelyn. “Investigating the electronic and structural properties of stanene.” 2018. Masters Thesis, Ball State University. Accessed March 30, 2020. http://cardinalscholar.bsu.edu/handle/123456789/201132.

MLA Handbook (7th Edition):

Ferris, Kaelyn. “Investigating the electronic and structural properties of stanene.” 2018. Web. 30 Mar 2020.

Vancouver:

Ferris K. Investigating the electronic and structural properties of stanene. [Internet] [Masters thesis]. Ball State University; 2018. [cited 2020 Mar 30]. Available from: http://cardinalscholar.bsu.edu/handle/123456789/201132.

Council of Science Editors:

Ferris K. Investigating the electronic and structural properties of stanene. [Masters Thesis]. Ball State University; 2018. Available from: http://cardinalscholar.bsu.edu/handle/123456789/201132


Oregon State University

8. Schulte, Jeff B. Hard spheres within classical density functional theory and Min proteins in Escherichia coli.

Degree: PhD, Physics, 2015, Oregon State University

 This thesis reports on computational research in two different areas. I first discuss the Min-protein system found within Escherichia coli. Following this I discuss an… (more)

Subjects/Keywords: Classical Density Functional Theory; Density functionals

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APA (6th Edition):

Schulte, J. B. (2015). Hard spheres within classical density functional theory and Min proteins in Escherichia coli. (Doctoral Dissertation). Oregon State University. Retrieved from http://hdl.handle.net/1957/55645

Chicago Manual of Style (16th Edition):

Schulte, Jeff B. “Hard spheres within classical density functional theory and Min proteins in Escherichia coli.” 2015. Doctoral Dissertation, Oregon State University. Accessed March 30, 2020. http://hdl.handle.net/1957/55645.

MLA Handbook (7th Edition):

Schulte, Jeff B. “Hard spheres within classical density functional theory and Min proteins in Escherichia coli.” 2015. Web. 30 Mar 2020.

Vancouver:

Schulte JB. Hard spheres within classical density functional theory and Min proteins in Escherichia coli. [Internet] [Doctoral dissertation]. Oregon State University; 2015. [cited 2020 Mar 30]. Available from: http://hdl.handle.net/1957/55645.

Council of Science Editors:

Schulte JB. Hard spheres within classical density functional theory and Min proteins in Escherichia coli. [Doctoral Dissertation]. Oregon State University; 2015. Available from: http://hdl.handle.net/1957/55645

9. Nault, Zachary R. Measuring the quality of generalized gradient approximations in a density functional theory pseudopotential environment for solids.

Degree: Thesis (M.S.), 2014, Ball State University

 The ability to model ground-state properties in density function theory (DFT) is a ected by the theoretical treatment of the electrons and the numerical approach… (more)

Subjects/Keywords: Density functionals; Pseudopotential method; Solids  – Density

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APA (6th Edition):

Nault, Z. R. (2014). Measuring the quality of generalized gradient approximations in a density functional theory pseudopotential environment for solids. (Masters Thesis). Ball State University. Retrieved from http://cardinalscholar.bsu.edu/handle/123456789/198137

Chicago Manual of Style (16th Edition):

Nault, Zachary R. “Measuring the quality of generalized gradient approximations in a density functional theory pseudopotential environment for solids.” 2014. Masters Thesis, Ball State University. Accessed March 30, 2020. http://cardinalscholar.bsu.edu/handle/123456789/198137.

MLA Handbook (7th Edition):

Nault, Zachary R. “Measuring the quality of generalized gradient approximations in a density functional theory pseudopotential environment for solids.” 2014. Web. 30 Mar 2020.

Vancouver:

Nault ZR. Measuring the quality of generalized gradient approximations in a density functional theory pseudopotential environment for solids. [Internet] [Masters thesis]. Ball State University; 2014. [cited 2020 Mar 30]. Available from: http://cardinalscholar.bsu.edu/handle/123456789/198137.

Council of Science Editors:

Nault ZR. Measuring the quality of generalized gradient approximations in a density functional theory pseudopotential environment for solids. [Masters Thesis]. Ball State University; 2014. Available from: http://cardinalscholar.bsu.edu/handle/123456789/198137

10. Blizak, Salah. AB initio dft investigations of magnetic properties of 3d transition metal alloy films.

Degree: 2013, Université M'Hamed Bougara Boumerdès

121 p. : ill. ; 30 cm

The objective of this work is to employ spin-polarized density functional theory (SDFT) calculations for the exploration of… (more)

Subjects/Keywords: Antiferromagnetism; Ferromagnetism; Density functionals; Alliages; Antiferromagnétisme; Alloys

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APA (6th Edition):

Blizak, S. (2013). AB initio dft investigations of magnetic properties of 3d transition metal alloy films. (Thesis). Université M'Hamed Bougara Boumerdès. Retrieved from http://dlibrary.univ-boumerdes.dz:8080123456789/1235

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):

Blizak, Salah. “AB initio dft investigations of magnetic properties of 3d transition metal alloy films.” 2013. Thesis, Université M'Hamed Bougara Boumerdès. Accessed March 30, 2020. http://dlibrary.univ-boumerdes.dz:8080123456789/1235.

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

MLA Handbook (7th Edition):

Blizak, Salah. “AB initio dft investigations of magnetic properties of 3d transition metal alloy films.” 2013. Web. 30 Mar 2020.

Vancouver:

Blizak S. AB initio dft investigations of magnetic properties of 3d transition metal alloy films. [Internet] [Thesis]. Université M'Hamed Bougara Boumerdès; 2013. [cited 2020 Mar 30]. Available from: http://dlibrary.univ-boumerdes.dz:8080123456789/1235.

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

Council of Science Editors:

Blizak S. AB initio dft investigations of magnetic properties of 3d transition metal alloy films. [Thesis]. Université M'Hamed Bougara Boumerdès; 2013. Available from: http://dlibrary.univ-boumerdes.dz:8080123456789/1235

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


Montana State University

11. Jones, Thomas Nicholas. Development and exploration of nitrogen heterocycle methodologies : experimental and theoretical investigations.

Degree: College of Letters & Science, 2003, Montana State University

Subjects/Keywords: Density functionals.; Photochemistry.

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APA (6th Edition):

Jones, T. N. (2003). Development and exploration of nitrogen heterocycle methodologies : experimental and theoretical investigations. (Thesis). Montana State University. Retrieved from https://scholarworks.montana.edu/xmlui/handle/1/8459

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):

Jones, Thomas Nicholas. “Development and exploration of nitrogen heterocycle methodologies : experimental and theoretical investigations.” 2003. Thesis, Montana State University. Accessed March 30, 2020. https://scholarworks.montana.edu/xmlui/handle/1/8459.

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

MLA Handbook (7th Edition):

Jones, Thomas Nicholas. “Development and exploration of nitrogen heterocycle methodologies : experimental and theoretical investigations.” 2003. Web. 30 Mar 2020.

Vancouver:

Jones TN. Development and exploration of nitrogen heterocycle methodologies : experimental and theoretical investigations. [Internet] [Thesis]. Montana State University; 2003. [cited 2020 Mar 30]. Available from: https://scholarworks.montana.edu/xmlui/handle/1/8459.

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

Council of Science Editors:

Jones TN. Development and exploration of nitrogen heterocycle methodologies : experimental and theoretical investigations. [Thesis]. Montana State University; 2003. Available from: https://scholarworks.montana.edu/xmlui/handle/1/8459

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


University of Tasmania

12. Oats, SG. Studies of transition metal nitrite complexes.

Degree: 2002, University of Tasmania

 A series of transition metal nitrite complexes have been prepared. These include tetranitrite complex ions of the formula [M(NO(2))(4)](2-), M = Zn(II), Cd(II) and Hg(II),… (more)

Subjects/Keywords: Nitrites; Density functionals

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APA (6th Edition):

Oats, S. (2002). Studies of transition metal nitrite complexes. (Thesis). University of Tasmania. Retrieved from https://eprints.utas.edu.au/21068/1/whole_OatsSusanGeorgina2002_thesis.pdf

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):

Oats, SG. “Studies of transition metal nitrite complexes.” 2002. Thesis, University of Tasmania. Accessed March 30, 2020. https://eprints.utas.edu.au/21068/1/whole_OatsSusanGeorgina2002_thesis.pdf.

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

MLA Handbook (7th Edition):

Oats, SG. “Studies of transition metal nitrite complexes.” 2002. Web. 30 Mar 2020.

Vancouver:

Oats S. Studies of transition metal nitrite complexes. [Internet] [Thesis]. University of Tasmania; 2002. [cited 2020 Mar 30]. Available from: https://eprints.utas.edu.au/21068/1/whole_OatsSusanGeorgina2002_thesis.pdf.

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

Council of Science Editors:

Oats S. Studies of transition metal nitrite complexes. [Thesis]. University of Tasmania; 2002. Available from: https://eprints.utas.edu.au/21068/1/whole_OatsSusanGeorgina2002_thesis.pdf

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

13. Genova, Alessandro. Subsystem density functional theory for molecules and solids: theory, development, applications.

Degree: PhD, Chemistry, 2018, Rutgers University

The Kohn–Sham formulation of density functional theory (KS-DFT) is the most widely employed electronic structure method in the fields of chemistry, physics, and materials science.… (more)

Subjects/Keywords: Density functionals

…FDE vs KS-DFT: Density differences . . . . . . . . . . . . . . . . . . 35 5.1 Timings and… …Sham Density Functional Theory (KS-DFT), as well as progress in the computer… …Central to 2 all fragment based methods, and to subsystem Density Functional Theory… …specifically, is the idea that the electron density of a system can be expressed as the sum of the… …x28;1.1) I where ρI is the electron density of one of the Ns fragments. The only… 

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APA (6th Edition):

Genova, A. (2018). Subsystem density functional theory for molecules and solids: theory, development, applications. (Doctoral Dissertation). Rutgers University. Retrieved from https://rucore.libraries.rutgers.edu/rutgers-lib/57315/

Chicago Manual of Style (16th Edition):

Genova, Alessandro. “Subsystem density functional theory for molecules and solids: theory, development, applications.” 2018. Doctoral Dissertation, Rutgers University. Accessed March 30, 2020. https://rucore.libraries.rutgers.edu/rutgers-lib/57315/.

MLA Handbook (7th Edition):

Genova, Alessandro. “Subsystem density functional theory for molecules and solids: theory, development, applications.” 2018. Web. 30 Mar 2020.

Vancouver:

Genova A. Subsystem density functional theory for molecules and solids: theory, development, applications. [Internet] [Doctoral dissertation]. Rutgers University; 2018. [cited 2020 Mar 30]. Available from: https://rucore.libraries.rutgers.edu/rutgers-lib/57315/.

Council of Science Editors:

Genova A. Subsystem density functional theory for molecules and solids: theory, development, applications. [Doctoral Dissertation]. Rutgers University; 2018. Available from: https://rucore.libraries.rutgers.edu/rutgers-lib/57315/


Hong Kong University of Science and Technology

14. Yuan, Peng. DFT studies on reaction mechanism of catalytic C-H bond oxidation and formation of the first Schrock carbene.

Degree: 2011, Hong Kong University of Science and Technology

 DFT studies on the catalytic mechanism involved in the catalytic oxidation of C-H bonds of hydrocarbons by osmium catalyst and the formation of the first… (more)

Subjects/Keywords: Carbenes (Methylene compounds) ; Oxidation ; Catalysis ; Density functionals

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APA (6th Edition):

Yuan, P. (2011). DFT studies on reaction mechanism of catalytic C-H bond oxidation and formation of the first Schrock carbene. (Thesis). Hong Kong University of Science and Technology. Retrieved from http://repository.ust.hk/ir/Record/1783.1-7141 ; https://doi.org/10.14711/thesis-b1136452 ; http://repository.ust.hk/ir/bitstream/1783.1-7141/1/th_redirect.html

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):

Yuan, Peng. “DFT studies on reaction mechanism of catalytic C-H bond oxidation and formation of the first Schrock carbene.” 2011. Thesis, Hong Kong University of Science and Technology. Accessed March 30, 2020. http://repository.ust.hk/ir/Record/1783.1-7141 ; https://doi.org/10.14711/thesis-b1136452 ; http://repository.ust.hk/ir/bitstream/1783.1-7141/1/th_redirect.html.

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

MLA Handbook (7th Edition):

Yuan, Peng. “DFT studies on reaction mechanism of catalytic C-H bond oxidation and formation of the first Schrock carbene.” 2011. Web. 30 Mar 2020.

Vancouver:

Yuan P. DFT studies on reaction mechanism of catalytic C-H bond oxidation and formation of the first Schrock carbene. [Internet] [Thesis]. Hong Kong University of Science and Technology; 2011. [cited 2020 Mar 30]. Available from: http://repository.ust.hk/ir/Record/1783.1-7141 ; https://doi.org/10.14711/thesis-b1136452 ; http://repository.ust.hk/ir/bitstream/1783.1-7141/1/th_redirect.html.

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

Council of Science Editors:

Yuan P. DFT studies on reaction mechanism of catalytic C-H bond oxidation and formation of the first Schrock carbene. [Thesis]. Hong Kong University of Science and Technology; 2011. Available from: http://repository.ust.hk/ir/Record/1783.1-7141 ; https://doi.org/10.14711/thesis-b1136452 ; http://repository.ust.hk/ir/bitstream/1783.1-7141/1/th_redirect.html

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


Florida Atlantic University

15. Garbaran, Avinash. ANALYSIS OF COMPUTATIONAL METHODS FOR THE ELECTRONIC TRANSITIONS OF ISOBUTENE.

Degree: MS, 2019, Florida Atlantic University

To help determine the ideal computational method for the analysis of the π → π* region in ethylene, analysis of isobutene’s computational results versus previously… (more)

Subjects/Keywords: Density functionals; Computational Chemistry; Ethylene – Analysis

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APA (6th Edition):

Garbaran, A. (2019). ANALYSIS OF COMPUTATIONAL METHODS FOR THE ELECTRONIC TRANSITIONS OF ISOBUTENE. (Masters Thesis). Florida Atlantic University. Retrieved from http://fau.digital.flvc.org/islandora/object/fau:42171

Chicago Manual of Style (16th Edition):

Garbaran, Avinash. “ANALYSIS OF COMPUTATIONAL METHODS FOR THE ELECTRONIC TRANSITIONS OF ISOBUTENE.” 2019. Masters Thesis, Florida Atlantic University. Accessed March 30, 2020. http://fau.digital.flvc.org/islandora/object/fau:42171.

MLA Handbook (7th Edition):

Garbaran, Avinash. “ANALYSIS OF COMPUTATIONAL METHODS FOR THE ELECTRONIC TRANSITIONS OF ISOBUTENE.” 2019. Web. 30 Mar 2020.

Vancouver:

Garbaran A. ANALYSIS OF COMPUTATIONAL METHODS FOR THE ELECTRONIC TRANSITIONS OF ISOBUTENE. [Internet] [Masters thesis]. Florida Atlantic University; 2019. [cited 2020 Mar 30]. Available from: http://fau.digital.flvc.org/islandora/object/fau:42171.

Council of Science Editors:

Garbaran A. ANALYSIS OF COMPUTATIONAL METHODS FOR THE ELECTRONIC TRANSITIONS OF ISOBUTENE. [Masters Thesis]. Florida Atlantic University; 2019. Available from: http://fau.digital.flvc.org/islandora/object/fau:42171


Montana State University

16. Harris, Travis Victor. Development of density functional methods for iron-sulfur clusters : application to the elusive structure of the iron-molybdenum cofactor of nitrogenase.

Degree: PhD, College of Letters & Science, 2011, Montana State University

 Iron-sulfur proteins are found in all forms of life, performing key functions in many of the most important biological processes, such as nitrogen fixation, respiration,… (more)

Subjects/Keywords: Iron-sulfur proteins.; Density functionals.; Nitrogenase.

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APA (6th Edition):

Harris, T. V. (2011). Development of density functional methods for iron-sulfur clusters : application to the elusive structure of the iron-molybdenum cofactor of nitrogenase. (Doctoral Dissertation). Montana State University. Retrieved from https://scholarworks.montana.edu/xmlui/handle/1/1435

Chicago Manual of Style (16th Edition):

Harris, Travis Victor. “Development of density functional methods for iron-sulfur clusters : application to the elusive structure of the iron-molybdenum cofactor of nitrogenase.” 2011. Doctoral Dissertation, Montana State University. Accessed March 30, 2020. https://scholarworks.montana.edu/xmlui/handle/1/1435.

MLA Handbook (7th Edition):

Harris, Travis Victor. “Development of density functional methods for iron-sulfur clusters : application to the elusive structure of the iron-molybdenum cofactor of nitrogenase.” 2011. Web. 30 Mar 2020.

Vancouver:

Harris TV. Development of density functional methods for iron-sulfur clusters : application to the elusive structure of the iron-molybdenum cofactor of nitrogenase. [Internet] [Doctoral dissertation]. Montana State University; 2011. [cited 2020 Mar 30]. Available from: https://scholarworks.montana.edu/xmlui/handle/1/1435.

Council of Science Editors:

Harris TV. Development of density functional methods for iron-sulfur clusters : application to the elusive structure of the iron-molybdenum cofactor of nitrogenase. [Doctoral Dissertation]. Montana State University; 2011. Available from: https://scholarworks.montana.edu/xmlui/handle/1/1435

17. Ross, Seth L. Measuring the performance of recent generalized gradient approximations to density functional theory in molecules and solids.

Degree: Thesis (M.S.), 2010, Ball State University

Density functional theory is a successful theory used in physics, chemistry and nanoscience to describe the ground state properties of solids and molecules. It calculates… (more)

Subjects/Keywords: Density functionals.; Electron configuration – Mathematical models.; Solids – Density – Mathematical models.

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APA (6th Edition):

Ross, S. L. (2010). Measuring the performance of recent generalized gradient approximations to density functional theory in molecules and solids. (Masters Thesis). Ball State University. Retrieved from http://cardinalscholar.bsu.edu/handle/123456789/194651

Chicago Manual of Style (16th Edition):

Ross, Seth L. “Measuring the performance of recent generalized gradient approximations to density functional theory in molecules and solids.” 2010. Masters Thesis, Ball State University. Accessed March 30, 2020. http://cardinalscholar.bsu.edu/handle/123456789/194651.

MLA Handbook (7th Edition):

Ross, Seth L. “Measuring the performance of recent generalized gradient approximations to density functional theory in molecules and solids.” 2010. Web. 30 Mar 2020.

Vancouver:

Ross SL. Measuring the performance of recent generalized gradient approximations to density functional theory in molecules and solids. [Internet] [Masters thesis]. Ball State University; 2010. [cited 2020 Mar 30]. Available from: http://cardinalscholar.bsu.edu/handle/123456789/194651.

Council of Science Editors:

Ross SL. Measuring the performance of recent generalized gradient approximations to density functional theory in molecules and solids. [Masters Thesis]. Ball State University; 2010. Available from: http://cardinalscholar.bsu.edu/handle/123456789/194651


University of Hong Kong

18. Wu, Jiang. Holographic current density theorem, neural network bootstrapping algorithm and PPM-GW corrected TDDFT(B)-NEGF method in first-principle calculations.

Degree: PhD, 2016, University of Hong Kong

Density Functional Theorem (DFT)-based methods play a major role in modern computational chemistry. Their efficiency has been widely acknowledged and well celebrated. However, their accuracy… (more)

Subjects/Keywords: Green's functions; Density functionals; Neural networks (Computer science)

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APA (6th Edition):

Wu, J. (2016). Holographic current density theorem, neural network bootstrapping algorithm and PPM-GW corrected TDDFT(B)-NEGF method in first-principle calculations. (Doctoral Dissertation). University of Hong Kong. Retrieved from http://hdl.handle.net/10722/244337

Chicago Manual of Style (16th Edition):

Wu, Jiang. “Holographic current density theorem, neural network bootstrapping algorithm and PPM-GW corrected TDDFT(B)-NEGF method in first-principle calculations.” 2016. Doctoral Dissertation, University of Hong Kong. Accessed March 30, 2020. http://hdl.handle.net/10722/244337.

MLA Handbook (7th Edition):

Wu, Jiang. “Holographic current density theorem, neural network bootstrapping algorithm and PPM-GW corrected TDDFT(B)-NEGF method in first-principle calculations.” 2016. Web. 30 Mar 2020.

Vancouver:

Wu J. Holographic current density theorem, neural network bootstrapping algorithm and PPM-GW corrected TDDFT(B)-NEGF method in first-principle calculations. [Internet] [Doctoral dissertation]. University of Hong Kong; 2016. [cited 2020 Mar 30]. Available from: http://hdl.handle.net/10722/244337.

Council of Science Editors:

Wu J. Holographic current density theorem, neural network bootstrapping algorithm and PPM-GW corrected TDDFT(B)-NEGF method in first-principle calculations. [Doctoral Dissertation]. University of Hong Kong; 2016. Available from: http://hdl.handle.net/10722/244337


University of Hong Kong

19. Tong, So-ming, Glenna. Theoretical studies of transition metal containing diatomics and DNA electron transfer.

Degree: PhD, 2002, University of Hong Kong

published_or_final_version

Chemistry

Doctoral

Doctor of Philosophy

Advisors/Committee Members: Cheung, ASC.

Subjects/Keywords: Charge exchange.; Metals.; Density functionals.

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APA (6th Edition):

Tong, So-ming, G. (2002). Theoretical studies of transition metal containing diatomics and DNA electron transfer. (Doctoral Dissertation). University of Hong Kong. Retrieved from Tong, S. G. [唐素明]. (2002). Theoretical studies of transition metal containing diatomics and DNA electron transfer. (Thesis). University of Hong Kong, Pokfulam, Hong Kong SAR. Retrieved from http://dx.doi.org/10.5353/th_b3124482 ; http://dx.doi.org/10.5353/th_b3124482 ; http://hdl.handle.net/10722/35920

Chicago Manual of Style (16th Edition):

Tong, So-ming, Glenna. “Theoretical studies of transition metal containing diatomics and DNA electron transfer.” 2002. Doctoral Dissertation, University of Hong Kong. Accessed March 30, 2020. Tong, S. G. [唐素明]. (2002). Theoretical studies of transition metal containing diatomics and DNA electron transfer. (Thesis). University of Hong Kong, Pokfulam, Hong Kong SAR. Retrieved from http://dx.doi.org/10.5353/th_b3124482 ; http://dx.doi.org/10.5353/th_b3124482 ; http://hdl.handle.net/10722/35920.

MLA Handbook (7th Edition):

Tong, So-ming, Glenna. “Theoretical studies of transition metal containing diatomics and DNA electron transfer.” 2002. Web. 30 Mar 2020.

Vancouver:

Tong, So-ming G. Theoretical studies of transition metal containing diatomics and DNA electron transfer. [Internet] [Doctoral dissertation]. University of Hong Kong; 2002. [cited 2020 Mar 30]. Available from: Tong, S. G. [唐素明]. (2002). Theoretical studies of transition metal containing diatomics and DNA electron transfer. (Thesis). University of Hong Kong, Pokfulam, Hong Kong SAR. Retrieved from http://dx.doi.org/10.5353/th_b3124482 ; http://dx.doi.org/10.5353/th_b3124482 ; http://hdl.handle.net/10722/35920.

Council of Science Editors:

Tong, So-ming G. Theoretical studies of transition metal containing diatomics and DNA electron transfer. [Doctoral Dissertation]. University of Hong Kong; 2002. Available from: Tong, S. G. [唐素明]. (2002). Theoretical studies of transition metal containing diatomics and DNA electron transfer. (Thesis). University of Hong Kong, Pokfulam, Hong Kong SAR. Retrieved from http://dx.doi.org/10.5353/th_b3124482 ; http://dx.doi.org/10.5353/th_b3124482 ; http://hdl.handle.net/10722/35920


University of Hong Kong

20. 庄厚龍.; Zhuang, Houlong. First-principles studies of metal-carbon nanotube systems.

Degree: M. Phil., 2007, University of Hong Kong

published_or_final_version

abstract

Mechanical Engineering

Master

Master of Philosophy

Advisors/Committee Members: Soh, AK.

Subjects/Keywords: Density functionals.; Carbon.; Nanotubes.

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APA (6th Edition):

庄厚龍.; Zhuang, H. (2007). First-principles studies of metal-carbon nanotube systems. (Masters Thesis). University of Hong Kong. Retrieved from Zhuang, H. [庄厚龍]. (2007). First-principles studies of metal-carbon nanotube systems. (Thesis). University of Hong Kong, Pokfulam, Hong Kong SAR. Retrieved from http://dx.doi.org/10.5353/th_b3939578 ; http://dx.doi.org/10.5353/th_b3939578 ; http://hdl.handle.net/10722/51929

Chicago Manual of Style (16th Edition):

庄厚龍.; Zhuang, Houlong. “First-principles studies of metal-carbon nanotube systems.” 2007. Masters Thesis, University of Hong Kong. Accessed March 30, 2020. Zhuang, H. [庄厚龍]. (2007). First-principles studies of metal-carbon nanotube systems. (Thesis). University of Hong Kong, Pokfulam, Hong Kong SAR. Retrieved from http://dx.doi.org/10.5353/th_b3939578 ; http://dx.doi.org/10.5353/th_b3939578 ; http://hdl.handle.net/10722/51929.

MLA Handbook (7th Edition):

庄厚龍.; Zhuang, Houlong. “First-principles studies of metal-carbon nanotube systems.” 2007. Web. 30 Mar 2020.

Vancouver:

庄厚龍.; Zhuang H. First-principles studies of metal-carbon nanotube systems. [Internet] [Masters thesis]. University of Hong Kong; 2007. [cited 2020 Mar 30]. Available from: Zhuang, H. [庄厚龍]. (2007). First-principles studies of metal-carbon nanotube systems. (Thesis). University of Hong Kong, Pokfulam, Hong Kong SAR. Retrieved from http://dx.doi.org/10.5353/th_b3939578 ; http://dx.doi.org/10.5353/th_b3939578 ; http://hdl.handle.net/10722/51929.

Council of Science Editors:

庄厚龍.; Zhuang H. First-principles studies of metal-carbon nanotube systems. [Masters Thesis]. University of Hong Kong; 2007. Available from: Zhuang, H. [庄厚龍]. (2007). First-principles studies of metal-carbon nanotube systems. (Thesis). University of Hong Kong, Pokfulam, Hong Kong SAR. Retrieved from http://dx.doi.org/10.5353/th_b3939578 ; http://dx.doi.org/10.5353/th_b3939578 ; http://hdl.handle.net/10722/51929


Rhodes University

21. Magqi, Nceba. Studies towards the development of novel multidentate ligands.

Degree: MS, Faculty of Science, Chemistry, 2007, Rhodes University

 In this study, attention has been given to the design and synthesis of novel multidentate ligands for use in the construction of ruthenium-based metathesis catalysts,… (more)

Subjects/Keywords: Density functionals; Ligands; Ligands  – Design; Ligands  – Analysis; Camphor

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APA (6th Edition):

Magqi, N. (2007). Studies towards the development of novel multidentate ligands. (Masters Thesis). Rhodes University. Retrieved from http://hdl.handle.net/10962/d1005023

Chicago Manual of Style (16th Edition):

Magqi, Nceba. “Studies towards the development of novel multidentate ligands.” 2007. Masters Thesis, Rhodes University. Accessed March 30, 2020. http://hdl.handle.net/10962/d1005023.

MLA Handbook (7th Edition):

Magqi, Nceba. “Studies towards the development of novel multidentate ligands.” 2007. Web. 30 Mar 2020.

Vancouver:

Magqi N. Studies towards the development of novel multidentate ligands. [Internet] [Masters thesis]. Rhodes University; 2007. [cited 2020 Mar 30]. Available from: http://hdl.handle.net/10962/d1005023.

Council of Science Editors:

Magqi N. Studies towards the development of novel multidentate ligands. [Masters Thesis]. Rhodes University; 2007. Available from: http://hdl.handle.net/10962/d1005023

22. Wagner, Christopher E. Exchange energy and potential using the Laplacian of the density.

Degree: Thesis (M.S.), 2012, Ball State University

 The challenge of density functional theory is the useful approximation of the exchange - correlation energy. This energy can be approximated with the local electron… (more)

Subjects/Keywords: Density functionals; Electron distribution  – Mathematical models; Harmonic functions

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APA (6th Edition):

Wagner, C. E. (2012). Exchange energy and potential using the Laplacian of the density. (Masters Thesis). Ball State University. Retrieved from http://cardinalscholar.bsu.edu/handle/123456789/195955

Chicago Manual of Style (16th Edition):

Wagner, Christopher E. “Exchange energy and potential using the Laplacian of the density.” 2012. Masters Thesis, Ball State University. Accessed March 30, 2020. http://cardinalscholar.bsu.edu/handle/123456789/195955.

MLA Handbook (7th Edition):

Wagner, Christopher E. “Exchange energy and potential using the Laplacian of the density.” 2012. Web. 30 Mar 2020.

Vancouver:

Wagner CE. Exchange energy and potential using the Laplacian of the density. [Internet] [Masters thesis]. Ball State University; 2012. [cited 2020 Mar 30]. Available from: http://cardinalscholar.bsu.edu/handle/123456789/195955.

Council of Science Editors:

Wagner CE. Exchange energy and potential using the Laplacian of the density. [Masters Thesis]. Ball State University; 2012. Available from: http://cardinalscholar.bsu.edu/handle/123456789/195955

23. Redd, Jeremy J. An analysis of atomic wave functions to improve density functional kinetic energy models.

Degree: Thesis (M.S.), 2015, Ball State University

Density Functional Theory (DFT) is a semi-classical computational theory devel- oped to accurately predict electron charge density, ground-state energy, band gap energies, and other electronic… (more)

Subjects/Keywords: Wave functions.; Atomic orbitals  – Computer simulation.; Density functionals  – Computer simulation.

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APA (6th Edition):

Redd, J. J. (2015). An analysis of atomic wave functions to improve density functional kinetic energy models. (Masters Thesis). Ball State University. Retrieved from http://cardinalscholar.bsu.edu/handle/123456789/200073

Chicago Manual of Style (16th Edition):

Redd, Jeremy J. “An analysis of atomic wave functions to improve density functional kinetic energy models.” 2015. Masters Thesis, Ball State University. Accessed March 30, 2020. http://cardinalscholar.bsu.edu/handle/123456789/200073.

MLA Handbook (7th Edition):

Redd, Jeremy J. “An analysis of atomic wave functions to improve density functional kinetic energy models.” 2015. Web. 30 Mar 2020.

Vancouver:

Redd JJ. An analysis of atomic wave functions to improve density functional kinetic energy models. [Internet] [Masters thesis]. Ball State University; 2015. [cited 2020 Mar 30]. Available from: http://cardinalscholar.bsu.edu/handle/123456789/200073.

Council of Science Editors:

Redd JJ. An analysis of atomic wave functions to improve density functional kinetic energy models. [Masters Thesis]. Ball State University; 2015. Available from: http://cardinalscholar.bsu.edu/handle/123456789/200073

24. Watson, Jesse D. Testing the Tran-Blaha approach for band gap calculations in a pseudo-potential environment: Title should read: Testing the Tran-Blaha approach for band gap calculations in a pseudo-potential environment: Testing the Tran Blaha approach for band gap calculations in a pseudo-potential environment.

Degree: Thesis (M.S.), 2015, Ball State University

 This study investigates the performance of the Tran-Blaha (TB) method for pseudo-potential calculations of semiconductor and metallic systems, using conventional Density Functional Theory (DFT) approximations… (more)

Subjects/Keywords: Density functionals.; Pseudopotential method.; Energy gap (Physics)  – Mathematical models.

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APA (6th Edition):

Watson, J. D. (2015). Testing the Tran-Blaha approach for band gap calculations in a pseudo-potential environment: Title should read: Testing the Tran-Blaha approach for band gap calculations in a pseudo-potential environment: Testing the Tran Blaha approach for band gap calculations in a pseudo-potential environment. (Masters Thesis). Ball State University. Retrieved from http://cardinalscholar.bsu.edu/handle/123456789/200077

Chicago Manual of Style (16th Edition):

Watson, Jesse D. “Testing the Tran-Blaha approach for band gap calculations in a pseudo-potential environment: Title should read: Testing the Tran-Blaha approach for band gap calculations in a pseudo-potential environment: Testing the Tran Blaha approach for band gap calculations in a pseudo-potential environment.” 2015. Masters Thesis, Ball State University. Accessed March 30, 2020. http://cardinalscholar.bsu.edu/handle/123456789/200077.

MLA Handbook (7th Edition):

Watson, Jesse D. “Testing the Tran-Blaha approach for band gap calculations in a pseudo-potential environment: Title should read: Testing the Tran-Blaha approach for band gap calculations in a pseudo-potential environment: Testing the Tran Blaha approach for band gap calculations in a pseudo-potential environment.” 2015. Web. 30 Mar 2020.

Vancouver:

Watson JD. Testing the Tran-Blaha approach for band gap calculations in a pseudo-potential environment: Title should read: Testing the Tran-Blaha approach for band gap calculations in a pseudo-potential environment: Testing the Tran Blaha approach for band gap calculations in a pseudo-potential environment. [Internet] [Masters thesis]. Ball State University; 2015. [cited 2020 Mar 30]. Available from: http://cardinalscholar.bsu.edu/handle/123456789/200077.

Council of Science Editors:

Watson JD. Testing the Tran-Blaha approach for band gap calculations in a pseudo-potential environment: Title should read: Testing the Tran-Blaha approach for band gap calculations in a pseudo-potential environment: Testing the Tran Blaha approach for band gap calculations in a pseudo-potential environment. [Masters Thesis]. Ball State University; 2015. Available from: http://cardinalscholar.bsu.edu/handle/123456789/200077

25. Dorsett, Skye Forrest. Breaking of spherical symmetry in electronic structure, free and immersed atoms in an electron gas.

Degree: PhD, Physics, 2008, Oregon State University

 Total electronic energies are calculated numerically for free and singly-ionized He, Li, C, and Ne atoms using density functional theory. Immersion energies are calculated for… (more)

Subjects/Keywords: physics; Density functionals

…unique functionals of the density. The kinetic energy functional is written as ∗ ψi (r… …1 2. DENSITY FUNCTIONAL THEORY… …4 2.1 4 2.1.1 Uniqueness of the external potential in terms of the charge density 2.1.2… …density . . . . . . . . . . . . . . . 2.2.2 Interacting particle system in terms of non… …34 3.1 Determination of the Density… 

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APA (6th Edition):

Dorsett, S. F. (2008). Breaking of spherical symmetry in electronic structure, free and immersed atoms in an electron gas. (Doctoral Dissertation). Oregon State University. Retrieved from http://hdl.handle.net/1957/8281

Chicago Manual of Style (16th Edition):

Dorsett, Skye Forrest. “Breaking of spherical symmetry in electronic structure, free and immersed atoms in an electron gas.” 2008. Doctoral Dissertation, Oregon State University. Accessed March 30, 2020. http://hdl.handle.net/1957/8281.

MLA Handbook (7th Edition):

Dorsett, Skye Forrest. “Breaking of spherical symmetry in electronic structure, free and immersed atoms in an electron gas.” 2008. Web. 30 Mar 2020.

Vancouver:

Dorsett SF. Breaking of spherical symmetry in electronic structure, free and immersed atoms in an electron gas. [Internet] [Doctoral dissertation]. Oregon State University; 2008. [cited 2020 Mar 30]. Available from: http://hdl.handle.net/1957/8281.

Council of Science Editors:

Dorsett SF. Breaking of spherical symmetry in electronic structure, free and immersed atoms in an electron gas. [Doctoral Dissertation]. Oregon State University; 2008. Available from: http://hdl.handle.net/1957/8281


Columbia University

26. Isaacs, Eric Brice. Electronic structure and phase stability of strongly correlated electron materials.

Degree: 2016, Columbia University

 In this thesis, we use first-principles methods to study a class of systems known as strongly correlated materials in which exceptionally strong electron-electron repulsion in… (more)

Subjects/Keywords: Condensed matter; Materials science; Density functionals; Electronic structure; Physics

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APA (6th Edition):

Isaacs, E. B. (2016). Electronic structure and phase stability of strongly correlated electron materials. (Doctoral Dissertation). Columbia University. Retrieved from https://doi.org/10.7916/D80V8D0N

Chicago Manual of Style (16th Edition):

Isaacs, Eric Brice. “Electronic structure and phase stability of strongly correlated electron materials.” 2016. Doctoral Dissertation, Columbia University. Accessed March 30, 2020. https://doi.org/10.7916/D80V8D0N.

MLA Handbook (7th Edition):

Isaacs, Eric Brice. “Electronic structure and phase stability of strongly correlated electron materials.” 2016. Web. 30 Mar 2020.

Vancouver:

Isaacs EB. Electronic structure and phase stability of strongly correlated electron materials. [Internet] [Doctoral dissertation]. Columbia University; 2016. [cited 2020 Mar 30]. Available from: https://doi.org/10.7916/D80V8D0N.

Council of Science Editors:

Isaacs EB. Electronic structure and phase stability of strongly correlated electron materials. [Doctoral Dissertation]. Columbia University; 2016. Available from: https://doi.org/10.7916/D80V8D0N


Columbia University

27. He, Zhuoran. Computational Studies and Algorithmic Research of Strongly Correlated Materials.

Degree: 2019, Columbia University

 Strongly correlated materials are an important class of materials for research in condensed matter physics. Other than ordinary solid-state physical systems, which can be well… (more)

Subjects/Keywords: Condensed matter; Materials; Physics; Density functionals; Mean field theory

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APA (6th Edition):

He, Z. (2019). Computational Studies and Algorithmic Research of Strongly Correlated Materials. (Doctoral Dissertation). Columbia University. Retrieved from https://doi.org/10.7916/d8-246b-xs86

Chicago Manual of Style (16th Edition):

He, Zhuoran. “Computational Studies and Algorithmic Research of Strongly Correlated Materials.” 2019. Doctoral Dissertation, Columbia University. Accessed March 30, 2020. https://doi.org/10.7916/d8-246b-xs86.

MLA Handbook (7th Edition):

He, Zhuoran. “Computational Studies and Algorithmic Research of Strongly Correlated Materials.” 2019. Web. 30 Mar 2020.

Vancouver:

He Z. Computational Studies and Algorithmic Research of Strongly Correlated Materials. [Internet] [Doctoral dissertation]. Columbia University; 2019. [cited 2020 Mar 30]. Available from: https://doi.org/10.7916/d8-246b-xs86.

Council of Science Editors:

He Z. Computational Studies and Algorithmic Research of Strongly Correlated Materials. [Doctoral Dissertation]. Columbia University; 2019. Available from: https://doi.org/10.7916/d8-246b-xs86


Oklahoma State University

28. Wang, Ningning. Nonparametric Empirical Likelihood Density Functionals Estimation and Applications.

Degree: Statistics, 2013, Oklahoma State University

 Chapter 2 of this dissertation presents a nonparametric empirical likelihood estimation of kernel density functionals (ELKDFE), which are constructed based on a kernel density functional… (more)

Subjects/Keywords: cumulative distribution function; empirical likelihood; kernel density functionals; nonparametric regression

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APA (6th Edition):

Wang, N. (2013). Nonparametric Empirical Likelihood Density Functionals Estimation and Applications. (Thesis). Oklahoma State University. Retrieved from http://hdl.handle.net/11244/15169

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):

Wang, Ningning. “Nonparametric Empirical Likelihood Density Functionals Estimation and Applications.” 2013. Thesis, Oklahoma State University. Accessed March 30, 2020. http://hdl.handle.net/11244/15169.

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

MLA Handbook (7th Edition):

Wang, Ningning. “Nonparametric Empirical Likelihood Density Functionals Estimation and Applications.” 2013. Web. 30 Mar 2020.

Vancouver:

Wang N. Nonparametric Empirical Likelihood Density Functionals Estimation and Applications. [Internet] [Thesis]. Oklahoma State University; 2013. [cited 2020 Mar 30]. Available from: http://hdl.handle.net/11244/15169.

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

Council of Science Editors:

Wang N. Nonparametric Empirical Likelihood Density Functionals Estimation and Applications. [Thesis]. Oklahoma State University; 2013. Available from: http://hdl.handle.net/11244/15169

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


Texas Christian University

29. Reese, Terrence L. Self-trapping of light particles in dense fluids / by Terrence L. Reese.

Degree: 1992, Texas Christian University

Subjects/Keywords: Light – Experiments; Fluids; Density functionals

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APA (6th Edition):

Reese, T. L. (1992). Self-trapping of light particles in dense fluids / by Terrence L. Reese. (Thesis). Texas Christian University. Retrieved from https://repository.tcu.edu/handle/116099117/34215

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):

Reese, Terrence L. “Self-trapping of light particles in dense fluids / by Terrence L. Reese.” 1992. Thesis, Texas Christian University. Accessed March 30, 2020. https://repository.tcu.edu/handle/116099117/34215.

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

MLA Handbook (7th Edition):

Reese, Terrence L. “Self-trapping of light particles in dense fluids / by Terrence L. Reese.” 1992. Web. 30 Mar 2020.

Vancouver:

Reese TL. Self-trapping of light particles in dense fluids / by Terrence L. Reese. [Internet] [Thesis]. Texas Christian University; 1992. [cited 2020 Mar 30]. Available from: https://repository.tcu.edu/handle/116099117/34215.

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

Council of Science Editors:

Reese TL. Self-trapping of light particles in dense fluids / by Terrence L. Reese. [Thesis]. Texas Christian University; 1992. Available from: https://repository.tcu.edu/handle/116099117/34215

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


Rutgers University

30. Roy, Anindya, 1983-. First-principles study of electromechanical and polar properties in perovskite oxides and half-Heusler semiconductors.

Degree: Physics and Astronomy, 2011, Rutgers University

Subjects/Keywords: Polarization (Electricity); Density functionals

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

APA (6th Edition):

Roy, Anindya, 1. (2011). First-principles study of electromechanical and polar properties in perovskite oxides and half-Heusler semiconductors. (Thesis). Rutgers University. Retrieved from http://hdl.rutgers.edu/1782.1/rucore10001600001.ETD.000063589

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):

Roy, Anindya, 1983-. “First-principles study of electromechanical and polar properties in perovskite oxides and half-Heusler semiconductors.” 2011. Thesis, Rutgers University. Accessed March 30, 2020. http://hdl.rutgers.edu/1782.1/rucore10001600001.ETD.000063589.

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

MLA Handbook (7th Edition):

Roy, Anindya, 1983-. “First-principles study of electromechanical and polar properties in perovskite oxides and half-Heusler semiconductors.” 2011. Web. 30 Mar 2020.

Vancouver:

Roy, Anindya 1. First-principles study of electromechanical and polar properties in perovskite oxides and half-Heusler semiconductors. [Internet] [Thesis]. Rutgers University; 2011. [cited 2020 Mar 30]. Available from: http://hdl.rutgers.edu/1782.1/rucore10001600001.ETD.000063589.

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

Council of Science Editors:

Roy, Anindya 1. First-principles study of electromechanical and polar properties in perovskite oxides and half-Heusler semiconductors. [Thesis]. Rutgers University; 2011. Available from: http://hdl.rutgers.edu/1782.1/rucore10001600001.ETD.000063589

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

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