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You searched for subject:(electronic structure theory). Showing records 1 – 30 of 171 total matches.

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1. 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 October 25, 2020. 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. 25 Oct 2020.

Vancouver:

Witte JK. Development and Assessment of Electronic Structure Approaches for Non-Covalent Interactions. [Internet] [Thesis]. University of California – Berkeley; 2017. [cited 2020 Oct 25]. 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

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

Degree: PhD, Chemistry and Chemical Biology, 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. (Doctoral Dissertation). Cornell University. Retrieved from http://hdl.handle.net/1813/30758

Chicago Manual of Style (16th Edition):

Neuscamman, Eric. “Modeling Electron Correlation In Quantum Chemistry.” 2011. Doctoral Dissertation, Cornell University. Accessed October 25, 2020. http://hdl.handle.net/1813/30758.

MLA Handbook (7th Edition):

Neuscamman, Eric. “Modeling Electron Correlation In Quantum Chemistry.” 2011. Web. 25 Oct 2020.

Vancouver:

Neuscamman E. Modeling Electron Correlation In Quantum Chemistry. [Internet] [Doctoral dissertation]. Cornell University; 2011. [cited 2020 Oct 25]. Available from: http://hdl.handle.net/1813/30758.

Council of Science Editors:

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


Vanderbilt University

3. 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://hdl.handle.net/1803/12328

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 October 25, 2020. http://hdl.handle.net/1803/12328.

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. 25 Oct 2020.

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 2020 Oct 25]. Available from: http://hdl.handle.net/1803/12328.

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://hdl.handle.net/1803/12328

4. 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 October 25, 2020. 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. 25 Oct 2020.

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 2020 Oct 25]. 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

5. 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 (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 October 25, 2020. 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. 25 Oct 2020.

Vancouver:

Li R. Theory And Application Development Of Electronic Structure Methods Involving Heavy Computation. [Internet] [Doctoral dissertation]. University of North Dakota; 2017. [cited 2020 Oct 25]. 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

6. 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 October 25, 2020. 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. 25 Oct 2020.

Vancouver:

Krull B. Development of non-local density functionals. [Internet] [Thesis]. University of California – Irvine; 2015. [cited 2020 Oct 25]. 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

7. 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 (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 October 25, 2020. 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. 25 Oct 2020.

Vancouver:

Kurlancheek W. Electronic Structure Theory for Radicaloid Systems and Intermolecular Interactions. [Internet] [Thesis]. University of California – Berkeley; 2011. [cited 2020 Oct 25]. 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


University of Michigan

8. Winograd, Blair. Stochastic Self-Energy in a Self-Consistent Second-Order Green's Function Scheme.

Degree: PhD, Chemistry, 2020, University of Michigan

 The description of electron correlation has been a critical problem among theoretical and computational chemistry researchers. To describe the physics of many new materials, this… (more)

Subjects/Keywords: Chemistry; Physics; Green's Function; Stochastic; Electronic Structure Theory; Chemistry; Science

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APA (6th Edition):

Winograd, B. (2020). Stochastic Self-Energy in a Self-Consistent Second-Order Green's Function Scheme. (Doctoral Dissertation). University of Michigan. Retrieved from http://hdl.handle.net/2027.42/155152

Chicago Manual of Style (16th Edition):

Winograd, Blair. “Stochastic Self-Energy in a Self-Consistent Second-Order Green's Function Scheme.” 2020. Doctoral Dissertation, University of Michigan. Accessed October 25, 2020. http://hdl.handle.net/2027.42/155152.

MLA Handbook (7th Edition):

Winograd, Blair. “Stochastic Self-Energy in a Self-Consistent Second-Order Green's Function Scheme.” 2020. Web. 25 Oct 2020.

Vancouver:

Winograd B. Stochastic Self-Energy in a Self-Consistent Second-Order Green's Function Scheme. [Internet] [Doctoral dissertation]. University of Michigan; 2020. [cited 2020 Oct 25]. Available from: http://hdl.handle.net/2027.42/155152.

Council of Science Editors:

Winograd B. Stochastic Self-Energy in a Self-Consistent Second-Order Green's Function Scheme. [Doctoral Dissertation]. University of Michigan; 2020. Available from: http://hdl.handle.net/2027.42/155152


Cornell University

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

Degree: PhD, Chemistry and Chemical Biology, 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. (Doctoral Dissertation). Cornell University. Retrieved from http://hdl.handle.net/1813/59462

Chicago Manual of Style (16th Edition):

Fuemmeler, Eric. “Quantum Mechanical Studies of Nonadiabatic Systems.” 2018. Doctoral Dissertation, Cornell University. Accessed October 25, 2020. http://hdl.handle.net/1813/59462.

MLA Handbook (7th Edition):

Fuemmeler, Eric. “Quantum Mechanical Studies of Nonadiabatic Systems.” 2018. Web. 25 Oct 2020.

Vancouver:

Fuemmeler E. Quantum Mechanical Studies of Nonadiabatic Systems. [Internet] [Doctoral dissertation]. Cornell University; 2018. [cited 2020 Oct 25]. Available from: http://hdl.handle.net/1813/59462.

Council of Science Editors:

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


Duke University

10. Jin, Ye. Quantum Chemistry: from Theory to Application .

Degree: 2019, Duke University

  Hartree-Fock (HF) theory is one of the fundamental theories in electronic structure calculations. It can provide the basic description of the system, however, as… (more)

Subjects/Keywords: Chemistry; Electron and Excitation Energy Transfer; Electronic Structure Theory; Quantum Chemistry

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APA (6th Edition):

Jin, Y. (2019). Quantum Chemistry: from Theory to Application . (Thesis). Duke University. Retrieved from http://hdl.handle.net/10161/19801

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):

Jin, Ye. “Quantum Chemistry: from Theory to Application .” 2019. Thesis, Duke University. Accessed October 25, 2020. http://hdl.handle.net/10161/19801.

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

MLA Handbook (7th Edition):

Jin, Ye. “Quantum Chemistry: from Theory to Application .” 2019. Web. 25 Oct 2020.

Vancouver:

Jin Y. Quantum Chemistry: from Theory to Application . [Internet] [Thesis]. Duke University; 2019. [cited 2020 Oct 25]. Available from: http://hdl.handle.net/10161/19801.

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

Council of Science Editors:

Jin Y. Quantum Chemistry: from Theory to Application . [Thesis]. Duke University; 2019. Available from: http://hdl.handle.net/10161/19801

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


University of Cambridge

11. Burton, Hugh. Holomorphic Hartree-Fock Theory: Moving Beyond the Coulson-Fischer Point.

Degree: PhD, 2020, University of Cambridge

 Molecules with multiconfigurational wave functions play a key role across chemistry, including excited states, dissociating bonds, and reaction pathways. Recently, nonorthogonal configuration interaction (NOCI) using… (more)

Subjects/Keywords: Theoretical Chemistry; Electronic Structure; Hartree-Fock Theory; Mathematical Chemistry

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APA (6th Edition):

Burton, H. (2020). Holomorphic Hartree-Fock Theory: Moving Beyond the Coulson-Fischer Point. (Doctoral Dissertation). University of Cambridge. Retrieved from https://www.repository.cam.ac.uk/handle/1810/307983

Chicago Manual of Style (16th Edition):

Burton, Hugh. “Holomorphic Hartree-Fock Theory: Moving Beyond the Coulson-Fischer Point.” 2020. Doctoral Dissertation, University of Cambridge. Accessed October 25, 2020. https://www.repository.cam.ac.uk/handle/1810/307983.

MLA Handbook (7th Edition):

Burton, Hugh. “Holomorphic Hartree-Fock Theory: Moving Beyond the Coulson-Fischer Point.” 2020. Web. 25 Oct 2020.

Vancouver:

Burton H. Holomorphic Hartree-Fock Theory: Moving Beyond the Coulson-Fischer Point. [Internet] [Doctoral dissertation]. University of Cambridge; 2020. [cited 2020 Oct 25]. Available from: https://www.repository.cam.ac.uk/handle/1810/307983.

Council of Science Editors:

Burton H. Holomorphic Hartree-Fock Theory: Moving Beyond the Coulson-Fischer Point. [Doctoral Dissertation]. University of Cambridge; 2020. Available from: https://www.repository.cam.ac.uk/handle/1810/307983

12. 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://doi.org/10.17863/CAM.13792 ; 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 October 25, 2020. https://doi.org/10.17863/CAM.13792 ; 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. 25 Oct 2020.

Vancouver:

Schwarz LR. Projector Quantum Monte Carlo methods for linear and non-linear wavefunction ansatzes. [Internet] [Doctoral dissertation]. University of Cambridge; 2017. [cited 2020 Oct 25]. Available from: https://doi.org/10.17863/CAM.13792 ; 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://doi.org/10.17863/CAM.13792 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.725571


University of Cambridge

13. 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: 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. (Doctoral Dissertation). University of Cambridge. Retrieved from https://www.repository.cam.ac.uk/handle/1810/267871

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 October 25, 2020. https://www.repository.cam.ac.uk/handle/1810/267871.

MLA Handbook (7th Edition):

Schwarz, Lauretta Rebecca. “Projector Quantum Monte Carlo Methods for Linear and Non-linear Wavefunction Ansatzes.” 2017. Web. 25 Oct 2020.

Vancouver:

Schwarz LR. Projector Quantum Monte Carlo Methods for Linear and Non-linear Wavefunction Ansatzes. [Internet] [Doctoral dissertation]. University of Cambridge; 2017. [cited 2020 Oct 25]. Available from: https://www.repository.cam.ac.uk/handle/1810/267871.

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


Hong Kong University of Science and Technology

14. 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 (6th Edition):

Lau, C. (1998). Quasi-periodic lattice in an electric field : electronic states. (Thesis). Hong Kong University of Science and Technology. Retrieved from http://repository.ust.hk/ir/Record/1783.1-5357 ; 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 October 25, 2020. http://repository.ust.hk/ir/Record/1783.1-5357 ; 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. 25 Oct 2020.

Vancouver:

Lau C. Quasi-periodic lattice in an electric field : electronic states. [Internet] [Thesis]. Hong Kong University of Science and Technology; 1998. [cited 2020 Oct 25]. Available from: http://repository.ust.hk/ir/Record/1783.1-5357 ; 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: http://repository.ust.hk/ir/Record/1783.1-5357 ; 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


University of Illinois – Urbana-Champaign

15. 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 October 25, 2020. http://hdl.handle.net/2142/100987.

MLA Handbook (7th Edition):

Johnson, Cole M. “Monte Carlo explicitly correlated methods.” 2018. Web. 25 Oct 2020.

Vancouver:

Johnson CM. Monte Carlo explicitly correlated methods. [Internet] [Doctoral dissertation]. University of Illinois – Urbana-Champaign; 2018. [cited 2020 Oct 25]. 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


Boise State University

16. 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 October 25, 2020. 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. 25 Oct 2020.

Vancouver:

Prince J. Modern Electronic Structure Theory: The Search for Chemical Accuracy. [Internet] [Thesis]. Boise State University; 2018. [cited 2020 Oct 25]. 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


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 (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 October 25, 2020. http://hdl.handle.net/1853/53850.

MLA Handbook (7th Edition):

Parrish, Robert M. “Rank reduction methods in electronic structure theory.” 2015. Web. 25 Oct 2020.

Vancouver:

Parrish RM. Rank reduction methods in electronic structure theory. [Internet] [Doctoral dissertation]. Georgia Tech; 2015. [cited 2020 Oct 25]. 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


University of Tennessee – Knoxville

18. 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 October 25, 2020. 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. 25 Oct 2020.

Vancouver:

Sundahl BE. Time Dependent Density-Functional Theory - Linear Response. [Internet] [Thesis]. University of Tennessee – Knoxville; 2013. [cited 2020 Oct 25]. 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


Virginia Tech

19. Huang, Jianqiu. First-Principles Study of Band Alignment and Electronic Structure at Metal/Oxide Interfaces: An Investigation of Dielectric Breakdown.

Degree: PhD, Mechanical Engineering, 2018, Virginia Tech

 Oxide dielectric breakdown is an old problem that has been studied over decades. It causes power dissipations and irreversible damage to the electronic devices. The… (more)

Subjects/Keywords: Density Functional Theory; electronic structure; band alignment; dielectric breakdown

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APA (6th Edition):

Huang, J. (2018). First-Principles Study of Band Alignment and Electronic Structure at Metal/Oxide Interfaces: An Investigation of Dielectric Breakdown. (Doctoral Dissertation). Virginia Tech. Retrieved from http://hdl.handle.net/10919/95967

Chicago Manual of Style (16th Edition):

Huang, Jianqiu. “First-Principles Study of Band Alignment and Electronic Structure at Metal/Oxide Interfaces: An Investigation of Dielectric Breakdown.” 2018. Doctoral Dissertation, Virginia Tech. Accessed October 25, 2020. http://hdl.handle.net/10919/95967.

MLA Handbook (7th Edition):

Huang, Jianqiu. “First-Principles Study of Band Alignment and Electronic Structure at Metal/Oxide Interfaces: An Investigation of Dielectric Breakdown.” 2018. Web. 25 Oct 2020.

Vancouver:

Huang J. First-Principles Study of Band Alignment and Electronic Structure at Metal/Oxide Interfaces: An Investigation of Dielectric Breakdown. [Internet] [Doctoral dissertation]. Virginia Tech; 2018. [cited 2020 Oct 25]. Available from: http://hdl.handle.net/10919/95967.

Council of Science Editors:

Huang J. First-Principles Study of Band Alignment and Electronic Structure at Metal/Oxide Interfaces: An Investigation of Dielectric Breakdown. [Doctoral Dissertation]. Virginia Tech; 2018. Available from: http://hdl.handle.net/10919/95967


University of Cambridge

20. Burton, Hugh. Holomorphic Hartree-Fock theory : moving beyond the Coulson-Fischer point.

Degree: PhD, 2020, University of Cambridge

 Molecules with multiconfigurational wave functions play a key role across chemistry, including excited states, dissociating bonds, and reaction pathways. Recently, nonorthogonal configuration interaction (NOCI) using… (more)

Subjects/Keywords: Theoretical Chemistry; Electronic Structure; Hartree-Fock Theory; Mathematical Chemistry

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APA (6th Edition):

Burton, H. (2020). Holomorphic Hartree-Fock theory : moving beyond the Coulson-Fischer point. (Doctoral Dissertation). University of Cambridge. Retrieved from https://doi.org/10.17863/CAM.55079 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.810136

Chicago Manual of Style (16th Edition):

Burton, Hugh. “Holomorphic Hartree-Fock theory : moving beyond the Coulson-Fischer point.” 2020. Doctoral Dissertation, University of Cambridge. Accessed October 25, 2020. https://doi.org/10.17863/CAM.55079 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.810136.

MLA Handbook (7th Edition):

Burton, Hugh. “Holomorphic Hartree-Fock theory : moving beyond the Coulson-Fischer point.” 2020. Web. 25 Oct 2020.

Vancouver:

Burton H. Holomorphic Hartree-Fock theory : moving beyond the Coulson-Fischer point. [Internet] [Doctoral dissertation]. University of Cambridge; 2020. [cited 2020 Oct 25]. Available from: https://doi.org/10.17863/CAM.55079 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.810136.

Council of Science Editors:

Burton H. Holomorphic Hartree-Fock theory : moving beyond the Coulson-Fischer point. [Doctoral Dissertation]. University of Cambridge; 2020. Available from: https://doi.org/10.17863/CAM.55079 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.810136


University of Pennsylvania

21. 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 (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 October 25, 2020. 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. 25 Oct 2020.

Vancouver:

Ou Q. Tddft Derivative Couplings And Other Topics In Quantum Chemistry. [Internet] [Thesis]. University of Pennsylvania; 2017. [cited 2020 Oct 25]. 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


Princeton University

22. 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 October 25, 2020. http://arks.princeton.edu/ark:/88435/dsp01mg74qp81f.

MLA Handbook (7th Edition):

Guo, Sheng. “Perturbation Theories Based on the Density Matrix Renormalization Group .” 2018. Web. 25 Oct 2020.

Vancouver:

Guo S. Perturbation Theories Based on the Density Matrix Renormalization Group . [Internet] [Doctoral dissertation]. Princeton University; 2018. [cited 2020 Oct 25]. 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


Dalhousie University

23. 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 (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 October 25, 2020. 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. 25 Oct 2020.

Vancouver:

Kannemann FO. Development And Benchmarking Of A Semilocal Density-Functional Approximation Including Dispersion. [Internet] [Doctoral dissertation]. Dalhousie University; 2013. [cited 2020 Oct 25]. 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

24. 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 October 25, 2020. 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. 25 Oct 2020.

Vancouver:

ROYCHOUDHURY S. Ab Initio calculation of parameters for electron and spin transport in organic crystals. [Internet] [Thesis]. Trinity College Dublin; 2018. [cited 2020 Oct 25]. 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


University of Minnesota

25. Stoneburner, Samuel. Active Space Methods In Electronic Structure theory and Applications To Gas Separations In Metal-Organic Frameworks.

Degree: PhD, Chemistry, 2019, University of Minnesota

 Active space methods such as complete active space self-consistent field theory (CASSCF) are applied to many systems of interest with a focus on the challenges… (more)

Subjects/Keywords: active spaces; air separation; Electronic structure theory; metal-organic frameworks; wave function theory

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APA (6th Edition):

Stoneburner, S. (2019). Active Space Methods In Electronic Structure theory and Applications To Gas Separations In Metal-Organic Frameworks. (Doctoral Dissertation). University of Minnesota. Retrieved from http://hdl.handle.net/11299/216110

Chicago Manual of Style (16th Edition):

Stoneburner, Samuel. “Active Space Methods In Electronic Structure theory and Applications To Gas Separations In Metal-Organic Frameworks.” 2019. Doctoral Dissertation, University of Minnesota. Accessed October 25, 2020. http://hdl.handle.net/11299/216110.

MLA Handbook (7th Edition):

Stoneburner, Samuel. “Active Space Methods In Electronic Structure theory and Applications To Gas Separations In Metal-Organic Frameworks.” 2019. Web. 25 Oct 2020.

Vancouver:

Stoneburner S. Active Space Methods In Electronic Structure theory and Applications To Gas Separations In Metal-Organic Frameworks. [Internet] [Doctoral dissertation]. University of Minnesota; 2019. [cited 2020 Oct 25]. Available from: http://hdl.handle.net/11299/216110.

Council of Science Editors:

Stoneburner S. Active Space Methods In Electronic Structure theory and Applications To Gas Separations In Metal-Organic Frameworks. [Doctoral Dissertation]. University of Minnesota; 2019. Available from: http://hdl.handle.net/11299/216110


Columbia University

26. 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 (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 October 25, 2020. 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. 25 Oct 2020.

Vancouver:

Weisman AL. Using polarized Raman spectroscopy and the pseudospectral method to characterize molecular structure and function. [Internet] [Doctoral dissertation]. Columbia University; 2017. [cited 2020 Oct 25]. 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

27. 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/1966

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 October 25, 2020. http://digitallibrary.usc.edu/cdm/compoundobject/collection/p15799coll127/id/466781/rec/1966.

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. 25 Oct 2020.

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 2020 Oct 25]. Available from: http://digitallibrary.usc.edu/cdm/compoundobject/collection/p15799coll127/id/466781/rec/1966.

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/1966

28. 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 (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 October 25, 2020. 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. 25 Oct 2020.

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 2020 Oct 25]. 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


Cornell University

29. Holmes, Adam. Advances in deterministic, stochastic, and semistochastic quantum chemistry.

Degree: PhD, Physics, 2017, Cornell University

 In this dissertation, I present my original research in the development of algorithms for computing ground-state properties of strongly-correlated electronic systems from first principles. I… (more)

Subjects/Keywords: Computer science; electronic structure theory; quantum Monte Carlo; strongly-correlated electrons; Quantum physics; Molecular chemistry

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APA (6th Edition):

Holmes, A. (2017). Advances in deterministic, stochastic, and semistochastic quantum chemistry. (Doctoral Dissertation). Cornell University. Retrieved from http://hdl.handle.net/1813/47777

Chicago Manual of Style (16th Edition):

Holmes, Adam. “Advances in deterministic, stochastic, and semistochastic quantum chemistry.” 2017. Doctoral Dissertation, Cornell University. Accessed October 25, 2020. http://hdl.handle.net/1813/47777.

MLA Handbook (7th Edition):

Holmes, Adam. “Advances in deterministic, stochastic, and semistochastic quantum chemistry.” 2017. Web. 25 Oct 2020.

Vancouver:

Holmes A. Advances in deterministic, stochastic, and semistochastic quantum chemistry. [Internet] [Doctoral dissertation]. Cornell University; 2017. [cited 2020 Oct 25]. Available from: http://hdl.handle.net/1813/47777.

Council of Science Editors:

Holmes A. Advances in deterministic, stochastic, and semistochastic quantum chemistry. [Doctoral Dissertation]. Cornell University; 2017. Available from: http://hdl.handle.net/1813/47777


Royal Holloway, University of London

30. Rhodes, Luke. Theoretical and experimental study of the electronic structure of FeSe.

Degree: PhD, 2019, Royal Holloway, University of London

 This thesis aims to study the superconducting properties of the iron-based supercon- ductor FeSe by closely combining theoretical methods with data obtained from angle- resolved… (more)

Subjects/Keywords: FeSe; electronic structure; ARPES; spin fluctuations; strain; Theory; superconductivity; nematicity; chemical potential; NaFeAs

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APA (6th Edition):

Rhodes, L. (2019). Theoretical and experimental study of the electronic structure of FeSe. (Doctoral Dissertation). Royal Holloway, University of London. Retrieved from https://pure.royalholloway.ac.uk/portal/en/publications/theoretical-and-experimental-study-of-the-electronic-structure-of-fese(81290695-418f-4904-93a4-f7c8852f4f49).html ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.792927

Chicago Manual of Style (16th Edition):

Rhodes, Luke. “Theoretical and experimental study of the electronic structure of FeSe.” 2019. Doctoral Dissertation, Royal Holloway, University of London. Accessed October 25, 2020. https://pure.royalholloway.ac.uk/portal/en/publications/theoretical-and-experimental-study-of-the-electronic-structure-of-fese(81290695-418f-4904-93a4-f7c8852f4f49).html ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.792927.

MLA Handbook (7th Edition):

Rhodes, Luke. “Theoretical and experimental study of the electronic structure of FeSe.” 2019. Web. 25 Oct 2020.

Vancouver:

Rhodes L. Theoretical and experimental study of the electronic structure of FeSe. [Internet] [Doctoral dissertation]. Royal Holloway, University of London; 2019. [cited 2020 Oct 25]. Available from: https://pure.royalholloway.ac.uk/portal/en/publications/theoretical-and-experimental-study-of-the-electronic-structure-of-fese(81290695-418f-4904-93a4-f7c8852f4f49).html ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.792927.

Council of Science Editors:

Rhodes L. Theoretical and experimental study of the electronic structure of FeSe. [Doctoral Dissertation]. Royal Holloway, University of London; 2019. Available from: https://pure.royalholloway.ac.uk/portal/en/publications/theoretical-and-experimental-study-of-the-electronic-structure-of-fese(81290695-418f-4904-93a4-f7c8852f4f49).html ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.792927

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