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Purdue University

1. Mosquera-Tabares, Martin A. Theory of density functionals.

Degree: PhD, Chemistry, 2014, Purdue University

Density functional theory is an alternative quantum mechanical theory that offers simple ways of performing calculations of the electronic properties of matter. Many different methods derive from density functional theory. The most appealing for its simplicity and rigor is the theory of Kohn and Sham. In this thesis I propose new methods in density-functional theory that are helpful to address some important problems in the application of the local-density approximation within Kohn-Sham DFT to the analysis of ground-states and dynamical properties of electronic systems. Advisors/Committee Members: Adam Wasserman, Adam Wasserman, Suzzane C. Bart, Sabre Kais, Garth J. Simpson.

Subjects/Keywords: Atomic, Molecular and Optical Physics; Physics

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

APA (6th Edition):

Mosquera-Tabares, M. A. (2014). Theory of density functionals. (Doctoral Dissertation). Purdue University. Retrieved from http://docs.lib.purdue.edu/open_access_dissertations/336

Chicago Manual of Style (16th Edition):

Mosquera-Tabares, Martin A. “Theory of density functionals.” 2014. Doctoral Dissertation, Purdue University. Accessed February 21, 2019. http://docs.lib.purdue.edu/open_access_dissertations/336.

MLA Handbook (7th Edition):

Mosquera-Tabares, Martin A. “Theory of density functionals.” 2014. Web. 21 Feb 2019.

Vancouver:

Mosquera-Tabares MA. Theory of density functionals. [Internet] [Doctoral dissertation]. Purdue University; 2014. [cited 2019 Feb 21]. Available from: http://docs.lib.purdue.edu/open_access_dissertations/336.

Council of Science Editors:

Mosquera-Tabares MA. Theory of density functionals. [Doctoral Dissertation]. Purdue University; 2014. Available from: http://docs.lib.purdue.edu/open_access_dissertations/336

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