Density-Functional Theory

1.5 credits · Graduate

The fundamental principles of density-functional theory (DFT) will be developed, from density matrix theory through the Hoenberg-Kohn-Sham theorems, and the construction of modern exchange-correlation functionals via the exchange-correlation "hole" concept. PREREQUISITES: CHEM 4301.03 or CHEM 5301.03 or permission of instructor FORMATS: Lecture