Date of Award

Fall 2014

Degree Type


Degree Name

Doctor of Philosophy (PhD)



First Advisor

Adam Wasserman

Committee Chair

Adam Wasserman

Committee Member 1

Suzzane C. Bart

Committee Member 2

Sabre Kais

Committee Member 3

Garth J. Simpson


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.