Professor of Heretical Physical and Computational Chemistry and of Physics & Astronomy, University of California – Irvine
ABCs of Time-Dependent Density Functional Theory
Thursday, May 6, 2:30 – 3:30 pm
ABSTRACT: Time-dependent density functional theory (TDDFT) is now widely used to extract optical excitation energies in molecules from ground-state DFT calculations. I will give an overview of how TDDFT works and where TDDFT is being applied, and what some of the important open questions are. See http://dft.uci.edu/pubs/EBF07.pdf for more information.
BIO: Kieron Burke is a professor in both the chemistry and physics departments at UC Irvine. He began his checkered academic career as a chemical engineering student at University College Dublin, but was drawn to the study of quantum mechanics by Dirac’s monograph. He is one of the leading developers of density functional theory, a method for solving the Schroedinger equation for electrons that can be easily applied to molecules with hundreds of atoms which has transformed modern chemistry. His current interests include removing empiricism from the theory, the foundations of the time-dependent theory, molecular electronics, electron-atom scattering, including nuclear motion beyond Born-Oppenheimer, and open quantum systems. He has won several awards for teaching and research, and was recently elected a fellow of the American Physical Society.