Time-Dependent Density Functional Theory

This book compiles and details cutting-edge research in quantum chemistry and chemical physics from the interdisciplinary groups from Japan, China, South Korea, the United States, Hong Kong, and Taiwan. They are developing excited-state dynamics methods involving conical intersections and intersystem crossings for large complex systems.

Chaoyuan Zhu obtained his first doctorate from the Institute of Nuclear Research, Academia Sinica, China, in 1990 and his second doctorate from the Institute for Molecular Science, Japan, in 1993. Currently he is a full professor in the Department of Applied Chemistry, National Chiao Tung University, Taiwan. Prof. Zhu has been working on theoretical chemistry method development and simulation for excited-state molecular dynamics and spectroscopy. His current interests are focused on simple and accurate semiclassical treatments for ab initio nonadiabatic molecular dynamic simulations with the use of time-dependent density functional theory.