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You searched for subject:(Electronic structure theory). Showing records 1 – 30 of 150 total matches.

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Cornell University

1. Neuscamman, Eric. Modeling Electron Correlation In Quantum Chemistry .

Degree: 2011, Cornell University

 Accurately predicting the effects of correlations caused by strong interactions between electrons represents one of the key unsolved challenges in quantum chemistry. This thesis details… (more)

Subjects/Keywords: Quantum Chemistry; Electronic Structure Theory; Strong Correlation

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APA (6th Edition):

Neuscamman, E. (2011). Modeling Electron Correlation In Quantum Chemistry . (Thesis). Cornell University. Retrieved from http://hdl.handle.net/1813/30758

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):

Neuscamman, Eric. “Modeling Electron Correlation In Quantum Chemistry .” 2011. Thesis, Cornell University. Accessed September 21, 2019. http://hdl.handle.net/1813/30758.

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

MLA Handbook (7th Edition):

Neuscamman, Eric. “Modeling Electron Correlation In Quantum Chemistry .” 2011. Web. 21 Sep 2019.

Vancouver:

Neuscamman E. Modeling Electron Correlation In Quantum Chemistry . [Internet] [Thesis]. Cornell University; 2011. [cited 2019 Sep 21]. Available from: http://hdl.handle.net/1813/30758.

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

Council of Science Editors:

Neuscamman E. Modeling Electron Correlation In Quantum Chemistry . [Thesis]. Cornell University; 2011. Available from: http://hdl.handle.net/1813/30758

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


University of California – Berkeley

2. Witte, Jonathon Kendall. Development and Assessment of Electronic Structure Approaches for Non-Covalent Interactions.

Degree: Chemistry, 2017, University of California – Berkeley

 This thesis is primarily concerned with the development and assessment of electronic structure approaches for intermolecular interactions. Various aspects of existing approaches  – most notably… (more)

Subjects/Keywords: Chemistry; Physics; density functional theory; electronic structure

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APA (6th Edition):

Witte, J. K. (2017). Development and Assessment of Electronic Structure Approaches for Non-Covalent Interactions. (Thesis). University of California – Berkeley. Retrieved from http://www.escholarship.org/uc/item/7mc3k8tm

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):

Witte, Jonathon Kendall. “Development and Assessment of Electronic Structure Approaches for Non-Covalent Interactions.” 2017. Thesis, University of California – Berkeley. Accessed September 21, 2019. http://www.escholarship.org/uc/item/7mc3k8tm.

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

MLA Handbook (7th Edition):

Witte, Jonathon Kendall. “Development and Assessment of Electronic Structure Approaches for Non-Covalent Interactions.” 2017. Web. 21 Sep 2019.

Vancouver:

Witte JK. Development and Assessment of Electronic Structure Approaches for Non-Covalent Interactions. [Internet] [Thesis]. University of California – Berkeley; 2017. [cited 2019 Sep 21]. Available from: http://www.escholarship.org/uc/item/7mc3k8tm.

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

Council of Science Editors:

Witte JK. Development and Assessment of Electronic Structure Approaches for Non-Covalent Interactions. [Thesis]. University of California – Berkeley; 2017. Available from: http://www.escholarship.org/uc/item/7mc3k8tm

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


Cornell University

3. Gunceler, Deniz. Joint Density-Functional Theory For Energetics And Spectroscopy In Complex Aqueous And Nonaqueous Solvents .

Degree: 2016, Cornell University

 Solvents are of great importance in many technological applications, but are difficult to study using standard, off-the-shelf ab initio electronic structure methods. This is because… (more)

Subjects/Keywords: Density Functional Theory; Solvation; Electronic Structure

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APA (6th Edition):

Gunceler, D. (2016). Joint Density-Functional Theory For Energetics And Spectroscopy In Complex Aqueous And Nonaqueous Solvents . (Thesis). Cornell University. Retrieved from http://hdl.handle.net/1813/44292

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):

Gunceler, Deniz. “Joint Density-Functional Theory For Energetics And Spectroscopy In Complex Aqueous And Nonaqueous Solvents .” 2016. Thesis, Cornell University. Accessed September 21, 2019. http://hdl.handle.net/1813/44292.

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

MLA Handbook (7th Edition):

Gunceler, Deniz. “Joint Density-Functional Theory For Energetics And Spectroscopy In Complex Aqueous And Nonaqueous Solvents .” 2016. Web. 21 Sep 2019.

Vancouver:

Gunceler D. Joint Density-Functional Theory For Energetics And Spectroscopy In Complex Aqueous And Nonaqueous Solvents . [Internet] [Thesis]. Cornell University; 2016. [cited 2019 Sep 21]. Available from: http://hdl.handle.net/1813/44292.

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

Council of Science Editors:

Gunceler D. Joint Density-Functional Theory For Energetics And Spectroscopy In Complex Aqueous And Nonaqueous Solvents . [Thesis]. Cornell University; 2016. Available from: http://hdl.handle.net/1813/44292

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


Vanderbilt University

4. Brock, Casey Neil. Automated Optimization of Pseudopotentials for Faster and More Accurate Plane Wave Density Functional Theory Calculations in Materials.

Degree: PhD, Interdisciplinary Materials Science, 2019, Vanderbilt University

 In principle, the properties of materials are determined by the behavior of electrons. Therefore quantum mechanical electronic structure calculations play a critical role in materials… (more)

Subjects/Keywords: pseudopotentials; density functional theory; electronic structure

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APA (6th Edition):

Brock, C. N. (2019). Automated Optimization of Pseudopotentials for Faster and More Accurate Plane Wave Density Functional Theory Calculations in Materials. (Doctoral Dissertation). Vanderbilt University. Retrieved from http://etd.library.vanderbilt.edu/available/etd-05162019-154431/ ;

Chicago Manual of Style (16th Edition):

Brock, Casey Neil. “Automated Optimization of Pseudopotentials for Faster and More Accurate Plane Wave Density Functional Theory Calculations in Materials.” 2019. Doctoral Dissertation, Vanderbilt University. Accessed September 21, 2019. http://etd.library.vanderbilt.edu/available/etd-05162019-154431/ ;.

MLA Handbook (7th Edition):

Brock, Casey Neil. “Automated Optimization of Pseudopotentials for Faster and More Accurate Plane Wave Density Functional Theory Calculations in Materials.” 2019. Web. 21 Sep 2019.

Vancouver:

Brock CN. Automated Optimization of Pseudopotentials for Faster and More Accurate Plane Wave Density Functional Theory Calculations in Materials. [Internet] [Doctoral dissertation]. Vanderbilt University; 2019. [cited 2019 Sep 21]. Available from: http://etd.library.vanderbilt.edu/available/etd-05162019-154431/ ;.

Council of Science Editors:

Brock CN. Automated Optimization of Pseudopotentials for Faster and More Accurate Plane Wave Density Functional Theory Calculations in Materials. [Doctoral Dissertation]. Vanderbilt University; 2019. Available from: http://etd.library.vanderbilt.edu/available/etd-05162019-154431/ ;

5. Hicks, Jason M. Computational Studies Of Oxides Relevant To Clean Energy, Catalytic Processing Of Renewables, And Biological Systems.

Degree: PhD, Chemistry, 2018, University of North Dakota

  Computational chemistry has grown into a large field and is continuing to grow every year in both number and variety of applications. This dissertation… (more)

Subjects/Keywords: Cu2O2; electronic structure theory; GVVPT2; lignin; metalloid oxides; multireference perturbation theory

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APA (6th Edition):

Hicks, J. M. (2018). Computational Studies Of Oxides Relevant To Clean Energy, Catalytic Processing Of Renewables, And Biological Systems. (Doctoral Dissertation). University of North Dakota. Retrieved from https://commons.und.edu/theses/2232

Chicago Manual of Style (16th Edition):

Hicks, Jason M. “Computational Studies Of Oxides Relevant To Clean Energy, Catalytic Processing Of Renewables, And Biological Systems.” 2018. Doctoral Dissertation, University of North Dakota. Accessed September 21, 2019. https://commons.und.edu/theses/2232.

MLA Handbook (7th Edition):

Hicks, Jason M. “Computational Studies Of Oxides Relevant To Clean Energy, Catalytic Processing Of Renewables, And Biological Systems.” 2018. Web. 21 Sep 2019.

Vancouver:

Hicks JM. Computational Studies Of Oxides Relevant To Clean Energy, Catalytic Processing Of Renewables, And Biological Systems. [Internet] [Doctoral dissertation]. University of North Dakota; 2018. [cited 2019 Sep 21]. Available from: https://commons.und.edu/theses/2232.

Council of Science Editors:

Hicks JM. Computational Studies Of Oxides Relevant To Clean Energy, Catalytic Processing Of Renewables, And Biological Systems. [Doctoral Dissertation]. University of North Dakota; 2018. Available from: https://commons.und.edu/theses/2232

6. Li, Run. Theory And Application Development Of Electronic Structure Methods Involving Heavy Computation.

Degree: PhD, Chemistry, 2017, University of North Dakota

  The propargyl radical, the most stable isomer of C3H3, is very important in combustion reactions. However, theoretical calculations have never been able to find… (more)

Subjects/Keywords: electronic structure theory; GVVPT2; MPI; MRCISD(TQ); multireference perturbation theory; parallelization

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

APA (6th Edition):

Li, R. (2017). Theory And Application Development Of Electronic Structure Methods Involving Heavy Computation. (Doctoral Dissertation). University of North Dakota. Retrieved from https://commons.und.edu/theses/2269

Chicago Manual of Style (16th Edition):

Li, Run. “Theory And Application Development Of Electronic Structure Methods Involving Heavy Computation.” 2017. Doctoral Dissertation, University of North Dakota. Accessed September 21, 2019. https://commons.und.edu/theses/2269.

MLA Handbook (7th Edition):

Li, Run. “Theory And Application Development Of Electronic Structure Methods Involving Heavy Computation.” 2017. Web. 21 Sep 2019.

Vancouver:

Li R. Theory And Application Development Of Electronic Structure Methods Involving Heavy Computation. [Internet] [Doctoral dissertation]. University of North Dakota; 2017. [cited 2019 Sep 21]. Available from: https://commons.und.edu/theses/2269.

Council of Science Editors:

Li R. Theory And Application Development Of Electronic Structure Methods Involving Heavy Computation. [Doctoral Dissertation]. University of North Dakota; 2017. Available from: https://commons.und.edu/theses/2269


University of California – Irvine

7. Krull, Brandon. Development of non-local density functionals.

Degree: Chemistry, 2015, University of California – Irvine

 This thesis focuses on the use and development of electronic structure methods in the density functional theory (DFT) framework. The first half is devoted to… (more)

Subjects/Keywords: Chemistry; Density functional theory; Electronic structure; Method development; Theoretical chemistry

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APA (6th Edition):

Krull, B. (2015). Development of non-local density functionals. (Thesis). University of California – Irvine. Retrieved from http://www.escholarship.org/uc/item/0pf3g4wj

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):

Krull, Brandon. “Development of non-local density functionals.” 2015. Thesis, University of California – Irvine. Accessed September 21, 2019. http://www.escholarship.org/uc/item/0pf3g4wj.

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

MLA Handbook (7th Edition):

Krull, Brandon. “Development of non-local density functionals.” 2015. Web. 21 Sep 2019.

Vancouver:

Krull B. Development of non-local density functionals. [Internet] [Thesis]. University of California – Irvine; 2015. [cited 2019 Sep 21]. Available from: http://www.escholarship.org/uc/item/0pf3g4wj.

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

Council of Science Editors:

Krull B. Development of non-local density functionals. [Thesis]. University of California – Irvine; 2015. Available from: http://www.escholarship.org/uc/item/0pf3g4wj

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


University of California – Berkeley

8. Kurlancheek, Westin. Electronic Structure Theory for Radicaloid Systems and Intermolecular Interactions.

Degree: Chemistry, 2011, University of California – Berkeley

 A radical molecule contains one or more electrons that are unpaired. A radicaloid may be defined as a molecule in which there are that are… (more)

Subjects/Keywords: Chemistry; Quantum physics; ALMO; distannyne; Electronic Structure Theory; N-representability

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

APA (6th Edition):

Kurlancheek, W. (2011). Electronic Structure Theory for Radicaloid Systems and Intermolecular Interactions. (Thesis). University of California – Berkeley. Retrieved from http://www.escholarship.org/uc/item/2j85c1vr

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):

Kurlancheek, Westin. “Electronic Structure Theory for Radicaloid Systems and Intermolecular Interactions.” 2011. Thesis, University of California – Berkeley. Accessed September 21, 2019. http://www.escholarship.org/uc/item/2j85c1vr.

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

MLA Handbook (7th Edition):

Kurlancheek, Westin. “Electronic Structure Theory for Radicaloid Systems and Intermolecular Interactions.” 2011. Web. 21 Sep 2019.

Vancouver:

Kurlancheek W. Electronic Structure Theory for Radicaloid Systems and Intermolecular Interactions. [Internet] [Thesis]. University of California – Berkeley; 2011. [cited 2019 Sep 21]. Available from: http://www.escholarship.org/uc/item/2j85c1vr.

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

Council of Science Editors:

Kurlancheek W. Electronic Structure Theory for Radicaloid Systems and Intermolecular Interactions. [Thesis]. University of California – Berkeley; 2011. Available from: http://www.escholarship.org/uc/item/2j85c1vr

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


Princeton University

9. Guo, Sheng. Perturbation Theories Based on the Density Matrix Renormalization Group .

Degree: PhD, 2018, Princeton University

 This thesis describes the development of perturbation theories based on the density matrix renormalization group (DMRG) and their applications to strongly correlated electronic systems. We… (more)

Subjects/Keywords: Density matrix renormalization group; Electronic structure; Perturbation theory; Strong correlations

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APA (6th Edition):

Guo, S. (2018). Perturbation Theories Based on the Density Matrix Renormalization Group . (Doctoral Dissertation). Princeton University. Retrieved from http://arks.princeton.edu/ark:/88435/dsp01mg74qp81f

Chicago Manual of Style (16th Edition):

Guo, Sheng. “Perturbation Theories Based on the Density Matrix Renormalization Group .” 2018. Doctoral Dissertation, Princeton University. Accessed September 21, 2019. http://arks.princeton.edu/ark:/88435/dsp01mg74qp81f.

MLA Handbook (7th Edition):

Guo, Sheng. “Perturbation Theories Based on the Density Matrix Renormalization Group .” 2018. Web. 21 Sep 2019.

Vancouver:

Guo S. Perturbation Theories Based on the Density Matrix Renormalization Group . [Internet] [Doctoral dissertation]. Princeton University; 2018. [cited 2019 Sep 21]. Available from: http://arks.princeton.edu/ark:/88435/dsp01mg74qp81f.

Council of Science Editors:

Guo S. Perturbation Theories Based on the Density Matrix Renormalization Group . [Doctoral Dissertation]. Princeton University; 2018. Available from: http://arks.princeton.edu/ark:/88435/dsp01mg74qp81f


Boise State University

10. Prince, Jonathan. Modern Electronic Structure Theory: The Search for Chemical Accuracy.

Degree: 2018, Boise State University

Electronic structure theory has progressed significantly within the last few decades, venturing far from the early days of the Hartree-Fock self-consistent field method. Modern electronic(more)

Subjects/Keywords: theoretical chemistry; electronic structure theory; computational chemistry; compound methods; Physical Chemistry

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APA (6th Edition):

Prince, J. (2018). Modern Electronic Structure Theory: The Search for Chemical Accuracy. (Thesis). Boise State University. Retrieved from https://scholarworks.boisestate.edu/td/1436

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):

Prince, Jonathan. “Modern Electronic Structure Theory: The Search for Chemical Accuracy.” 2018. Thesis, Boise State University. Accessed September 21, 2019. https://scholarworks.boisestate.edu/td/1436.

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

MLA Handbook (7th Edition):

Prince, Jonathan. “Modern Electronic Structure Theory: The Search for Chemical Accuracy.” 2018. Web. 21 Sep 2019.

Vancouver:

Prince J. Modern Electronic Structure Theory: The Search for Chemical Accuracy. [Internet] [Thesis]. Boise State University; 2018. [cited 2019 Sep 21]. Available from: https://scholarworks.boisestate.edu/td/1436.

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

Council of Science Editors:

Prince J. Modern Electronic Structure Theory: The Search for Chemical Accuracy. [Thesis]. Boise State University; 2018. Available from: https://scholarworks.boisestate.edu/td/1436

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


University of Cambridge

11. Schwarz, Lauretta Rebecca. Projector Quantum Monte Carlo methods for linear and non-linear wavefunction ansatzes.

Degree: PhD, 2017, University of Cambridge

 This thesis is concerned with the development of a Projector Quantum Monte Carlo method for non-linear wavefunction ansatzes and its application to strongly correlated materials.… (more)

Subjects/Keywords: 541; theoretical chemistry; electronic structure theory; Quantum Monte Carlo methods

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APA (6th Edition):

Schwarz, L. R. (2017). Projector Quantum Monte Carlo methods for linear and non-linear wavefunction ansatzes. (Doctoral Dissertation). University of Cambridge. Retrieved from https://www.repository.cam.ac.uk/handle/1810/267871 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.725571

Chicago Manual of Style (16th Edition):

Schwarz, Lauretta Rebecca. “Projector Quantum Monte Carlo methods for linear and non-linear wavefunction ansatzes.” 2017. Doctoral Dissertation, University of Cambridge. Accessed September 21, 2019. https://www.repository.cam.ac.uk/handle/1810/267871 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.725571.

MLA Handbook (7th Edition):

Schwarz, Lauretta Rebecca. “Projector Quantum Monte Carlo methods for linear and non-linear wavefunction ansatzes.” 2017. Web. 21 Sep 2019.

Vancouver:

Schwarz LR. Projector Quantum Monte Carlo methods for linear and non-linear wavefunction ansatzes. [Internet] [Doctoral dissertation]. University of Cambridge; 2017. [cited 2019 Sep 21]. Available from: https://www.repository.cam.ac.uk/handle/1810/267871 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.725571.

Council of Science Editors:

Schwarz LR. Projector Quantum Monte Carlo methods for linear and non-linear wavefunction ansatzes. [Doctoral Dissertation]. University of Cambridge; 2017. Available from: https://www.repository.cam.ac.uk/handle/1810/267871 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.725571


University of Cambridge

12. Schwarz, Lauretta Rebecca. Projector Quantum Monte Carlo Methods for Linear and Non-linear Wavefunction Ansatzes .

Degree: 2017, University of Cambridge

 This thesis is concerned with the development of a Projector Quantum Monte Carlo method for non-linear wavefunction ansatzes and its application to strongly correlated materials.… (more)

Subjects/Keywords: theoretical chemistry; electronic structure theory; Quantum Monte Carlo methods

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

APA (6th Edition):

Schwarz, L. R. (2017). Projector Quantum Monte Carlo Methods for Linear and Non-linear Wavefunction Ansatzes . (Thesis). University of Cambridge. Retrieved from https://www.repository.cam.ac.uk/handle/1810/267871

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):

Schwarz, Lauretta Rebecca. “Projector Quantum Monte Carlo Methods for Linear and Non-linear Wavefunction Ansatzes .” 2017. Thesis, University of Cambridge. Accessed September 21, 2019. https://www.repository.cam.ac.uk/handle/1810/267871.

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

MLA Handbook (7th Edition):

Schwarz, Lauretta Rebecca. “Projector Quantum Monte Carlo Methods for Linear and Non-linear Wavefunction Ansatzes .” 2017. Web. 21 Sep 2019.

Vancouver:

Schwarz LR. Projector Quantum Monte Carlo Methods for Linear and Non-linear Wavefunction Ansatzes . [Internet] [Thesis]. University of Cambridge; 2017. [cited 2019 Sep 21]. Available from: https://www.repository.cam.ac.uk/handle/1810/267871.

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

Council of Science Editors:

Schwarz LR. Projector Quantum Monte Carlo Methods for Linear and Non-linear Wavefunction Ansatzes . [Thesis]. University of Cambridge; 2017. Available from: https://www.repository.cam.ac.uk/handle/1810/267871

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


University of Tennessee – Knoxville

13. 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 September 21, 2019. 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. 21 Sep 2019.

Vancouver:

Sundahl BE. Time Dependent Density-Functional Theory - Linear Response. [Internet] [Thesis]. University of Tennessee – Knoxville; 2013. [cited 2019 Sep 21]. 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


University of Illinois – Urbana-Champaign

14. Johnson, Cole M. Monte Carlo explicitly correlated methods.

Degree: PhD, Chemistry, 2018, University of Illinois – Urbana-Champaign

 Solving the non-relativistic time-independent electronic Schrödinger equation is in general difficult and requires approximation. For experimental accuracy, wave-function based methods require a large set of… (more)

Subjects/Keywords: Electronic structure theory; Explicitly correlated methods; Monte Carlo

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APA (6th Edition):

Johnson, C. M. (2018). Monte Carlo explicitly correlated methods. (Doctoral Dissertation). University of Illinois – Urbana-Champaign. Retrieved from http://hdl.handle.net/2142/100987

Chicago Manual of Style (16th Edition):

Johnson, Cole M. “Monte Carlo explicitly correlated methods.” 2018. Doctoral Dissertation, University of Illinois – Urbana-Champaign. Accessed September 21, 2019. http://hdl.handle.net/2142/100987.

MLA Handbook (7th Edition):

Johnson, Cole M. “Monte Carlo explicitly correlated methods.” 2018. Web. 21 Sep 2019.

Vancouver:

Johnson CM. Monte Carlo explicitly correlated methods. [Internet] [Doctoral dissertation]. University of Illinois – Urbana-Champaign; 2018. [cited 2019 Sep 21]. Available from: http://hdl.handle.net/2142/100987.

Council of Science Editors:

Johnson CM. Monte Carlo explicitly correlated methods. [Doctoral Dissertation]. University of Illinois – Urbana-Champaign; 2018. Available from: http://hdl.handle.net/2142/100987


Cornell University

15. Fuemmeler, Eric. Quantum Mechanical Studies of Nonadiabatic Systems .

Degree: 2018, Cornell University

 Understanding nonadiabatic processes is tantamount to understanding the mechanisms underlying phenomena such as energy transfer in photovoltaic cells and catalysis at metal surfaces. A complete… (more)

Subjects/Keywords: quantum dynamics; electronic structure theory; Excited States; Chemistry

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APA (6th Edition):

Fuemmeler, E. (2018). Quantum Mechanical Studies of Nonadiabatic Systems . (Thesis). Cornell University. Retrieved from http://hdl.handle.net/1813/59462

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):

Fuemmeler, Eric. “Quantum Mechanical Studies of Nonadiabatic Systems .” 2018. Thesis, Cornell University. Accessed September 21, 2019. http://hdl.handle.net/1813/59462.

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

MLA Handbook (7th Edition):

Fuemmeler, Eric. “Quantum Mechanical Studies of Nonadiabatic Systems .” 2018. Web. 21 Sep 2019.

Vancouver:

Fuemmeler E. Quantum Mechanical Studies of Nonadiabatic Systems . [Internet] [Thesis]. Cornell University; 2018. [cited 2019 Sep 21]. Available from: http://hdl.handle.net/1813/59462.

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

Council of Science Editors:

Fuemmeler E. Quantum Mechanical Studies of Nonadiabatic Systems . [Thesis]. Cornell University; 2018. Available from: http://hdl.handle.net/1813/59462

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


University of Pennsylvania

16. Ou, Qi. Tddft Derivative Couplings And Other Topics In Quantum Chemistry.

Degree: 2017, University of Pennsylvania

 Photochemical reactions, which involve both the ground and excited electronic states of a molecule, can promote processes otherwise inaccessible by normal reactions. In general, photochemical… (more)

Subjects/Keywords: conical intersection; derivative coupling; electronic structure theory; nonadiabatic; tddft; Chemistry

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

APA (6th Edition):

Ou, Q. (2017). Tddft Derivative Couplings And Other Topics In Quantum Chemistry. (Thesis). University of Pennsylvania. Retrieved from https://repository.upenn.edu/edissertations/2509

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):

Ou, Qi. “Tddft Derivative Couplings And Other Topics In Quantum Chemistry.” 2017. Thesis, University of Pennsylvania. Accessed September 21, 2019. https://repository.upenn.edu/edissertations/2509.

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

MLA Handbook (7th Edition):

Ou, Qi. “Tddft Derivative Couplings And Other Topics In Quantum Chemistry.” 2017. Web. 21 Sep 2019.

Vancouver:

Ou Q. Tddft Derivative Couplings And Other Topics In Quantum Chemistry. [Internet] [Thesis]. University of Pennsylvania; 2017. [cited 2019 Sep 21]. Available from: https://repository.upenn.edu/edissertations/2509.

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

Council of Science Editors:

Ou Q. Tddft Derivative Couplings And Other Topics In Quantum Chemistry. [Thesis]. University of Pennsylvania; 2017. Available from: https://repository.upenn.edu/edissertations/2509

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


Georgia Tech

17. Parrish, Robert M. Rank reduction methods in electronic structure theory.

Degree: PhD, Chemistry and Biochemistry, 2015, Georgia Tech

 Quantum chemistry is plagued by the presence of high-rank quantities, stemming from the N-body nature of the electronic Schrödinger equation. These high-rank quantities present a… (more)

Subjects/Keywords: Rank reduction; Electronic structure theory; Tensor decomposition; Intermolecular interactions

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

APA (6th Edition):

Parrish, R. M. (2015). Rank reduction methods in electronic structure theory. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/53850

Chicago Manual of Style (16th Edition):

Parrish, Robert M. “Rank reduction methods in electronic structure theory.” 2015. Doctoral Dissertation, Georgia Tech. Accessed September 21, 2019. http://hdl.handle.net/1853/53850.

MLA Handbook (7th Edition):

Parrish, Robert M. “Rank reduction methods in electronic structure theory.” 2015. Web. 21 Sep 2019.

Vancouver:

Parrish RM. Rank reduction methods in electronic structure theory. [Internet] [Doctoral dissertation]. Georgia Tech; 2015. [cited 2019 Sep 21]. Available from: http://hdl.handle.net/1853/53850.

Council of Science Editors:

Parrish RM. Rank reduction methods in electronic structure theory. [Doctoral Dissertation]. Georgia Tech; 2015. Available from: http://hdl.handle.net/1853/53850


Hong Kong University of Science and Technology

18. Lau, Chi-Ho. Quasi-periodic lattice in an electric field : electronic states.

Degree: 1998, Hong Kong University of Science and Technology

 We investigate the electronic properties of the well-known one-dimensional Kronig-Penny Model with equal-spacing δ-function barriers having two distinct strengths, arranged in a Fibonacci series. The… (more)

Subjects/Keywords: Lattice field theory; Electronic structure

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

APA (6th Edition):

Lau, C. (1998). Quasi-periodic lattice in an electric field : electronic states. (Thesis). Hong Kong University of Science and Technology. Retrieved from https://doi.org/10.14711/thesis-b603931 ; http://repository.ust.hk/ir/bitstream/1783.1-5357/1/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):

Lau, Chi-Ho. “Quasi-periodic lattice in an electric field : electronic states.” 1998. Thesis, Hong Kong University of Science and Technology. Accessed September 21, 2019. https://doi.org/10.14711/thesis-b603931 ; http://repository.ust.hk/ir/bitstream/1783.1-5357/1/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):

Lau, Chi-Ho. “Quasi-periodic lattice in an electric field : electronic states.” 1998. Web. 21 Sep 2019.

Vancouver:

Lau C. Quasi-periodic lattice in an electric field : electronic states. [Internet] [Thesis]. Hong Kong University of Science and Technology; 1998. [cited 2019 Sep 21]. Available from: https://doi.org/10.14711/thesis-b603931 ; http://repository.ust.hk/ir/bitstream/1783.1-5357/1/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:

Lau C. Quasi-periodic lattice in an electric field : electronic states. [Thesis]. Hong Kong University of Science and Technology; 1998. Available from: https://doi.org/10.14711/thesis-b603931 ; http://repository.ust.hk/ir/bitstream/1783.1-5357/1/th_redirect.html

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


Dalhousie University

19. Kannemann, Felix Oliver. Development And Benchmarking Of A Semilocal Density-Functional Approximation Including Dispersion.

Degree: PhD, Department of Chemistry, 2013, Dalhousie University

 Density-functional theory has become an indispensible tool for studying matter on the atomic level, being routinely applied across diverse disciplines from solid-state physics to chemistry… (more)

Subjects/Keywords: Density-functional theory; dispersion; noncovalent interactions; quantum chemistry; computational chemistry; electronic structure theory

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

APA (6th Edition):

Kannemann, F. O. (2013). Development And Benchmarking Of A Semilocal Density-Functional Approximation Including Dispersion. (Doctoral Dissertation). Dalhousie University. Retrieved from http://hdl.handle.net/10222/21434

Chicago Manual of Style (16th Edition):

Kannemann, Felix Oliver. “Development And Benchmarking Of A Semilocal Density-Functional Approximation Including Dispersion.” 2013. Doctoral Dissertation, Dalhousie University. Accessed September 21, 2019. http://hdl.handle.net/10222/21434.

MLA Handbook (7th Edition):

Kannemann, Felix Oliver. “Development And Benchmarking Of A Semilocal Density-Functional Approximation Including Dispersion.” 2013. Web. 21 Sep 2019.

Vancouver:

Kannemann FO. Development And Benchmarking Of A Semilocal Density-Functional Approximation Including Dispersion. [Internet] [Doctoral dissertation]. Dalhousie University; 2013. [cited 2019 Sep 21]. Available from: http://hdl.handle.net/10222/21434.

Council of Science Editors:

Kannemann FO. Development And Benchmarking Of A Semilocal Density-Functional Approximation Including Dispersion. [Doctoral Dissertation]. Dalhousie University; 2013. Available from: http://hdl.handle.net/10222/21434

20. ROYCHOUDHURY, SUBHAYAN. Ab Initio calculation of parameters for electron and spin transport in organic crystals.

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

 Organic semiconductors offer several crucial advantages over their inorganic counterparts in electronic and spintronic applications. Besides offering structural advantages such as variety and flexibility, organic… (more)

Subjects/Keywords: Organic Electronics; Density Functional Theory; Electronic Structure Theory; Materials Science; Computational Physics; Condensed Matter Physics

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APA (6th Edition):

ROYCHOUDHURY, S. (2018). Ab Initio calculation of parameters for electron and spin transport in organic crystals. (Thesis). Trinity College Dublin. Retrieved from http://hdl.handle.net/2262/82724

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):

ROYCHOUDHURY, SUBHAYAN. “Ab Initio calculation of parameters for electron and spin transport in organic crystals.” 2018. Thesis, Trinity College Dublin. Accessed September 21, 2019. http://hdl.handle.net/2262/82724.

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

MLA Handbook (7th Edition):

ROYCHOUDHURY, SUBHAYAN. “Ab Initio calculation of parameters for electron and spin transport in organic crystals.” 2018. Web. 21 Sep 2019.

Vancouver:

ROYCHOUDHURY S. Ab Initio calculation of parameters for electron and spin transport in organic crystals. [Internet] [Thesis]. Trinity College Dublin; 2018. [cited 2019 Sep 21]. Available from: http://hdl.handle.net/2262/82724.

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

Council of Science Editors:

ROYCHOUDHURY S. Ab Initio calculation of parameters for electron and spin transport in organic crystals. [Thesis]. Trinity College Dublin; 2018. Available from: http://hdl.handle.net/2262/82724

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


Columbia University

21. Weisman, Andrew Lee. Using polarized Raman spectroscopy and the pseudospectral method to characterize molecular structure and function.

Degree: 2017, Columbia University

Electronic structure calculation is an essential approach for determining the structure and function of molecules and is therefore of critical interest to physics, chemistry, and… (more)

Subjects/Keywords: Molecular structure; Molecular structure – Analysis; Raman spectroscopy; Oligothiophenes; Electronic structure; Chemistry, Physical and theoretical; Quantum theory; Renewable energy sources

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

APA (6th Edition):

Weisman, A. L. (2017). Using polarized Raman spectroscopy and the pseudospectral method to characterize molecular structure and function. (Doctoral Dissertation). Columbia University. Retrieved from https://doi.org/10.7916/D8N58S40

Chicago Manual of Style (16th Edition):

Weisman, Andrew Lee. “Using polarized Raman spectroscopy and the pseudospectral method to characterize molecular structure and function.” 2017. Doctoral Dissertation, Columbia University. Accessed September 21, 2019. https://doi.org/10.7916/D8N58S40.

MLA Handbook (7th Edition):

Weisman, Andrew Lee. “Using polarized Raman spectroscopy and the pseudospectral method to characterize molecular structure and function.” 2017. Web. 21 Sep 2019.

Vancouver:

Weisman AL. Using polarized Raman spectroscopy and the pseudospectral method to characterize molecular structure and function. [Internet] [Doctoral dissertation]. Columbia University; 2017. [cited 2019 Sep 21]. Available from: https://doi.org/10.7916/D8N58S40.

Council of Science Editors:

Weisman AL. Using polarized Raman spectroscopy and the pseudospectral method to characterize molecular structure and function. [Doctoral Dissertation]. Columbia University; 2017. Available from: https://doi.org/10.7916/D8N58S40


University of Southern California

22. Epifanovskiy, Evgeny. Development of predictive electronic structure methods and their application to atmospheric chemistry, combustion, and biologically relevant systems.

Degree: PhD, Chemistry, 2011, University of Southern California

 This work demonstrates electronic structure techniques that enable predictive modeling of the properties of biologically relevant species. Chapters 2 and 3 present studies of the… (more)

Subjects/Keywords: electronic structure theory; coupled clusters theory; equation of motion theory; organic chromophore; green fluorescent protein; uracil

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APA (6th Edition):

Epifanovskiy, E. (2011). Development of predictive electronic structure methods and their application to atmospheric chemistry, combustion, and biologically relevant systems. (Doctoral Dissertation). University of Southern California. Retrieved from http://digitallibrary.usc.edu/cdm/compoundobject/collection/p15799coll127/id/466781/rec/1963

Chicago Manual of Style (16th Edition):

Epifanovskiy, Evgeny. “Development of predictive electronic structure methods and their application to atmospheric chemistry, combustion, and biologically relevant systems.” 2011. Doctoral Dissertation, University of Southern California. Accessed September 21, 2019. http://digitallibrary.usc.edu/cdm/compoundobject/collection/p15799coll127/id/466781/rec/1963.

MLA Handbook (7th Edition):

Epifanovskiy, Evgeny. “Development of predictive electronic structure methods and their application to atmospheric chemistry, combustion, and biologically relevant systems.” 2011. Web. 21 Sep 2019.

Vancouver:

Epifanovskiy E. Development of predictive electronic structure methods and their application to atmospheric chemistry, combustion, and biologically relevant systems. [Internet] [Doctoral dissertation]. University of Southern California; 2011. [cited 2019 Sep 21]. Available from: http://digitallibrary.usc.edu/cdm/compoundobject/collection/p15799coll127/id/466781/rec/1963.

Council of Science Editors:

Epifanovskiy E. Development of predictive electronic structure methods and their application to atmospheric chemistry, combustion, and biologically relevant systems. [Doctoral Dissertation]. University of Southern California; 2011. Available from: http://digitallibrary.usc.edu/cdm/compoundobject/collection/p15799coll127/id/466781/rec/1963

23. Claveau, Yann. Modeling of ballistic electron emission microscopy : Modélisation de la microscopie à émission d'électrons balistiques.

Degree: Docteur es, Physique, 2014, Rennes 1

Après la découverte de la magnéto-résistance géante (GMR) par Albert Fert et Peter Grünberg, l'électronique a connu une véritable avancée avec la naissance d'une nouvelle… (more)

Subjects/Keywords: Théorie du transport des électrons; Structure électronique; Théorie des perturbations hors équilibre; Modélisation; Beem; Formalisme de Keldysh; Electronic transport theory; Electronic structure; Non-Equilibrium perturbation theory; Modelization; Beem; Keldysh formalism

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

APA (6th Edition):

Claveau, Y. (2014). Modeling of ballistic electron emission microscopy : Modélisation de la microscopie à émission d'électrons balistiques. (Doctoral Dissertation). Rennes 1. Retrieved from http://www.theses.fr/2014REN1S074

Chicago Manual of Style (16th Edition):

Claveau, Yann. “Modeling of ballistic electron emission microscopy : Modélisation de la microscopie à émission d'électrons balistiques.” 2014. Doctoral Dissertation, Rennes 1. Accessed September 21, 2019. http://www.theses.fr/2014REN1S074.

MLA Handbook (7th Edition):

Claveau, Yann. “Modeling of ballistic electron emission microscopy : Modélisation de la microscopie à émission d'électrons balistiques.” 2014. Web. 21 Sep 2019.

Vancouver:

Claveau Y. Modeling of ballistic electron emission microscopy : Modélisation de la microscopie à émission d'électrons balistiques. [Internet] [Doctoral dissertation]. Rennes 1; 2014. [cited 2019 Sep 21]. Available from: http://www.theses.fr/2014REN1S074.

Council of Science Editors:

Claveau Y. Modeling of ballistic electron emission microscopy : Modélisation de la microscopie à émission d'électrons balistiques. [Doctoral Dissertation]. Rennes 1; 2014. Available from: http://www.theses.fr/2014REN1S074


Georgia Tech

24. Xian, Lede. Electronic structure and interlayer coupling in twisted multilayer graphene.

Degree: PhD, Physics, 2014, Georgia Tech

 It has been shown recently that high-quality epitaxial graphene (EPG) can be grown on the SiC substrate that exhibits interesting physical properties and has great… (more)

Subjects/Keywords: Twisted multilayer graphene; Density functional theory; Tight-binding model; Electronic structure; Graphene; Mathematical models

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

APA (6th Edition):

Xian, L. (2014). Electronic structure and interlayer coupling in twisted multilayer graphene. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/51811

Chicago Manual of Style (16th Edition):

Xian, Lede. “Electronic structure and interlayer coupling in twisted multilayer graphene.” 2014. Doctoral Dissertation, Georgia Tech. Accessed September 21, 2019. http://hdl.handle.net/1853/51811.

MLA Handbook (7th Edition):

Xian, Lede. “Electronic structure and interlayer coupling in twisted multilayer graphene.” 2014. Web. 21 Sep 2019.

Vancouver:

Xian L. Electronic structure and interlayer coupling in twisted multilayer graphene. [Internet] [Doctoral dissertation]. Georgia Tech; 2014. [cited 2019 Sep 21]. Available from: http://hdl.handle.net/1853/51811.

Council of Science Editors:

Xian L. Electronic structure and interlayer coupling in twisted multilayer graphene. [Doctoral Dissertation]. Georgia Tech; 2014. Available from: http://hdl.handle.net/1853/51811


University of Washington

25. Williams-Young, David Bruce. Towards Efficient and Scalable Electronic Structure Methods for the Treatment of Relativistic Effects and Molecular Response.

Degree: PhD, 2018, University of Washington

 In the context of electronic structure theory, formal theoretical development must be accompanied by efficient and scalable computer implementation in order to study molecular systems… (more)

Subjects/Keywords: Electronic Structure Theory; High Performance Computing; Molecular Response; Numerical Methods; Relativity; Theoretical Chemistry; Chemistry; Chemistry

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APA (6th Edition):

Williams-Young, D. B. (2018). Towards Efficient and Scalable Electronic Structure Methods for the Treatment of Relativistic Effects and Molecular Response. (Doctoral Dissertation). University of Washington. Retrieved from http://hdl.handle.net/1773/42243

Chicago Manual of Style (16th Edition):

Williams-Young, David Bruce. “Towards Efficient and Scalable Electronic Structure Methods for the Treatment of Relativistic Effects and Molecular Response.” 2018. Doctoral Dissertation, University of Washington. Accessed September 21, 2019. http://hdl.handle.net/1773/42243.

MLA Handbook (7th Edition):

Williams-Young, David Bruce. “Towards Efficient and Scalable Electronic Structure Methods for the Treatment of Relativistic Effects and Molecular Response.” 2018. Web. 21 Sep 2019.

Vancouver:

Williams-Young DB. Towards Efficient and Scalable Electronic Structure Methods for the Treatment of Relativistic Effects and Molecular Response. [Internet] [Doctoral dissertation]. University of Washington; 2018. [cited 2019 Sep 21]. Available from: http://hdl.handle.net/1773/42243.

Council of Science Editors:

Williams-Young DB. Towards Efficient and Scalable Electronic Structure Methods for the Treatment of Relativistic Effects and Molecular Response. [Doctoral Dissertation]. University of Washington; 2018. Available from: http://hdl.handle.net/1773/42243


University of Cambridge

26. Constantinescu, Gabriel Cristian. Large-scale density functional theory study of van-der-Waals heterostructures.

Degree: PhD, 2018, University of Cambridge

 Research on two-dimensional (2D) materials currently occupies a sizeable fraction of the materials science community, which has led to the development of a comprehensive body… (more)

Subjects/Keywords: Condensed Matter; Physics; 2D materials; Density Functional Theory; Electronic Structure; Device Simulation; Vibrational Properties; Crystals

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APA (6th Edition):

Constantinescu, G. C. (2018). Large-scale density functional theory study of van-der-Waals heterostructures. (Doctoral Dissertation). University of Cambridge. Retrieved from https://www.repository.cam.ac.uk/handle/1810/274876 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.744704

Chicago Manual of Style (16th Edition):

Constantinescu, Gabriel Cristian. “Large-scale density functional theory study of van-der-Waals heterostructures.” 2018. Doctoral Dissertation, University of Cambridge. Accessed September 21, 2019. https://www.repository.cam.ac.uk/handle/1810/274876 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.744704.

MLA Handbook (7th Edition):

Constantinescu, Gabriel Cristian. “Large-scale density functional theory study of van-der-Waals heterostructures.” 2018. Web. 21 Sep 2019.

Vancouver:

Constantinescu GC. Large-scale density functional theory study of van-der-Waals heterostructures. [Internet] [Doctoral dissertation]. University of Cambridge; 2018. [cited 2019 Sep 21]. Available from: https://www.repository.cam.ac.uk/handle/1810/274876 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.744704.

Council of Science Editors:

Constantinescu GC. Large-scale density functional theory study of van-der-Waals heterostructures. [Doctoral Dissertation]. University of Cambridge; 2018. Available from: https://www.repository.cam.ac.uk/handle/1810/274876 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.744704


Université Catholique de Louvain

27. Dubois, Simon. Quantum transport in molecular junctions and graphene based nanostructures.

Degree: 2010, Université Catholique de Louvain

Till recently, graphene was nothing but a theoretical concept. Nevertheless, a couple of years ago, researchers managed to actually prepare graphene samples. Owing to its… (more)

Subjects/Keywords: Quantum transport; Graphene; Defects; Density functional theory; Green's function; Electronic structure; Transistor

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APA (6th Edition):

Dubois, S. (2010). Quantum transport in molecular junctions and graphene based nanostructures. (Thesis). Université Catholique de Louvain. Retrieved from http://hdl.handle.net/2078.1/32254

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):

Dubois, Simon. “Quantum transport in molecular junctions and graphene based nanostructures.” 2010. Thesis, Université Catholique de Louvain. Accessed September 21, 2019. http://hdl.handle.net/2078.1/32254.

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

MLA Handbook (7th Edition):

Dubois, Simon. “Quantum transport in molecular junctions and graphene based nanostructures.” 2010. Web. 21 Sep 2019.

Vancouver:

Dubois S. Quantum transport in molecular junctions and graphene based nanostructures. [Internet] [Thesis]. Université Catholique de Louvain; 2010. [cited 2019 Sep 21]. Available from: http://hdl.handle.net/2078.1/32254.

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

Council of Science Editors:

Dubois S. Quantum transport in molecular junctions and graphene based nanostructures. [Thesis]. Université Catholique de Louvain; 2010. Available from: http://hdl.handle.net/2078.1/32254

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


UCLA

28. Park, Chun Soo. Prediction of High-Performance Thermoelectric Materials and Optimal Electronic Structures for Thermoelectricity.

Degree: Materials Science and Engineering, 2019, UCLA

 The thermoelectric figures of merit of bulk materials up to date have not overcome zT = 3, and only in rare occasions have they surpassed… (more)

Subjects/Keywords: Materials Science; Applied physics; Density-functional theory; Electronic Structure; First-principles; Lattice Dynamics; Thermoelectrics; Transport

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APA (6th Edition):

Park, C. S. (2019). Prediction of High-Performance Thermoelectric Materials and Optimal Electronic Structures for Thermoelectricity. (Thesis). UCLA. Retrieved from http://www.escholarship.org/uc/item/98r39679

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):

Park, Chun Soo. “Prediction of High-Performance Thermoelectric Materials and Optimal Electronic Structures for Thermoelectricity.” 2019. Thesis, UCLA. Accessed September 21, 2019. http://www.escholarship.org/uc/item/98r39679.

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

MLA Handbook (7th Edition):

Park, Chun Soo. “Prediction of High-Performance Thermoelectric Materials and Optimal Electronic Structures for Thermoelectricity.” 2019. Web. 21 Sep 2019.

Vancouver:

Park CS. Prediction of High-Performance Thermoelectric Materials and Optimal Electronic Structures for Thermoelectricity. [Internet] [Thesis]. UCLA; 2019. [cited 2019 Sep 21]. Available from: http://www.escholarship.org/uc/item/98r39679.

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

Council of Science Editors:

Park CS. Prediction of High-Performance Thermoelectric Materials and Optimal Electronic Structures for Thermoelectricity. [Thesis]. UCLA; 2019. Available from: http://www.escholarship.org/uc/item/98r39679

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


Virginia Tech

29. Peng, Chong. Coupled-Cluster Methods for Large Molecular Systems Through Massive Parallelism and Reduced-Scaling Approaches.

Degree: PhD, Chemistry, 2018, Virginia Tech

 Accurate correlated electronic structure methods involve a significant amount of computations and can be only employed to small molecular systems. For example, the coupled-cluster singles,… (more)

Subjects/Keywords: Quantum Chemistry; Electronic Structure Theory; Explicitly Correlated Coupled-Cluster Methods; Parallel Computing

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APA (6th Edition):

Peng, C. (2018). Coupled-Cluster Methods for Large Molecular Systems Through Massive Parallelism and Reduced-Scaling Approaches. (Doctoral Dissertation). Virginia Tech. Retrieved from http://hdl.handle.net/10919/82971

Chicago Manual of Style (16th Edition):

Peng, Chong. “Coupled-Cluster Methods for Large Molecular Systems Through Massive Parallelism and Reduced-Scaling Approaches.” 2018. Doctoral Dissertation, Virginia Tech. Accessed September 21, 2019. http://hdl.handle.net/10919/82971.

MLA Handbook (7th Edition):

Peng, Chong. “Coupled-Cluster Methods for Large Molecular Systems Through Massive Parallelism and Reduced-Scaling Approaches.” 2018. Web. 21 Sep 2019.

Vancouver:

Peng C. Coupled-Cluster Methods for Large Molecular Systems Through Massive Parallelism and Reduced-Scaling Approaches. [Internet] [Doctoral dissertation]. Virginia Tech; 2018. [cited 2019 Sep 21]. Available from: http://hdl.handle.net/10919/82971.

Council of Science Editors:

Peng C. Coupled-Cluster Methods for Large Molecular Systems Through Massive Parallelism and Reduced-Scaling Approaches. [Doctoral Dissertation]. Virginia Tech; 2018. Available from: http://hdl.handle.net/10919/82971


University of Cambridge

30. Constantinescu, Gabriel Cristian. Large-scale density functional theory study of van-der-Waals heterostructures .

Degree: 2018, University of Cambridge

 Research on two-dimensional (2D) materials currently occupies a sizeable fraction of the materials science community, which has led to the development of a comprehensive body… (more)

Subjects/Keywords: Condensed Matter; Physics; 2D materials; Density Functional Theory; Electronic Structure; Device Simulation; Vibrational Properties; Crystals

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APA (6th Edition):

Constantinescu, G. C. (2018). Large-scale density functional theory study of van-der-Waals heterostructures . (Thesis). University of Cambridge. Retrieved from https://www.repository.cam.ac.uk/handle/1810/274876

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):

Constantinescu, Gabriel Cristian. “Large-scale density functional theory study of van-der-Waals heterostructures .” 2018. Thesis, University of Cambridge. Accessed September 21, 2019. https://www.repository.cam.ac.uk/handle/1810/274876.

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

MLA Handbook (7th Edition):

Constantinescu, Gabriel Cristian. “Large-scale density functional theory study of van-der-Waals heterostructures .” 2018. Web. 21 Sep 2019.

Vancouver:

Constantinescu GC. Large-scale density functional theory study of van-der-Waals heterostructures . [Internet] [Thesis]. University of Cambridge; 2018. [cited 2019 Sep 21]. Available from: https://www.repository.cam.ac.uk/handle/1810/274876.

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

Council of Science Editors:

Constantinescu GC. Large-scale density functional theory study of van-der-Waals heterostructures . [Thesis]. University of Cambridge; 2018. Available from: https://www.repository.cam.ac.uk/handle/1810/274876

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

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