Theory of density functionals

<p>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.</p>

Name thesis:degree_name

Doctor of Philosophy (PhD)

Level thesis:degree_level

Dissertation

Discipline thesis:degree_discipline

Chemistry

Year

2014

Author dc:creator

• Mosquera-Tabares, Martin A

Contributors dc:contributor

• Adam Wasserman
• Suzzane C. Bart
• Sabre Kais
• Garth J. Simpson

• Atomic, Molecular and Optical Physics
• Physics

Repository record dc:identifier

https://docs.lib.purdue.edu/open_access_dissertations/336

OAI identifier oai:identifier

oai:docs.lib.purdue.edu:open_access_dissertations-1451