Time-Dependent Density Functional Theory

<p>In recent decades time-dependent density functional theory has been developed for computing excited-state properties of large-scale systems to high accuracy in biomolecules and nanomaterials especially for ab initio nonadiabatic molecular dynamic simulations. It is therefore regarded as a most unique efficient method to do accurate simulation for large complex systems.</p><p>This book compiles and details cutting-edge research in quantum chemistry and chemical physics from interdisciplinary groups from Japan China South Korea the United States Hong Kong and Taiwan. These groups are developing excited-state dynamics methods involving conical intersections and intersystem crossings for large complex systems. Edited by Chaoyuan Zhu a prominent chemical physics researcher this book will appeal to anyone involved in molecular dynamics and spectroscopy photochemistry biochemistry and materials chemistry research.</p>