Time-Dependent Density Functional Theory

Name: Time-Dependent Density Functional Theory
Brand: Jenny Stanford Publishing > CRC Press

Jenny Stanford Publishing > CRC Press

Time-Dependent Density Functional TheoryNonadiabatic Molecular Dynamics\nAuthor(s): Chaoyuan Zhu\nFormat: Hardback\nPublisher: Jenny Stanford Publishing, Singapore\nImprint: Jenny Stanford Publishing\nISBN-13: 9789814968423, 978-9814968423\nSynopsis\nIn 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.\n\nThis 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 p.