Prerequisites: graduate standing in Chemistry or consent of instruc- tor
Description: Explores topics in computational quantum chem- istry relevant to both wave function and density func- tional theories. Emphasizes new computational algo- rithms and physical approximations that can be used to accelerate calculations and the applications of these methods to solve chemical problems. Students who present a seminar receive a letter grade; other students receive a Satisfactory (S) or No Credit (NC) grade. Course is repeatable. Beran