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Time-Dependent Density Functional Theory: Nonadiabatic Molecular Dynamics
Hardcover
ISBN13: 9789814968423
Publisher: Jenny Stanford Pub
Published: Dec 29 2022
Pages: 504
Weight: 1.89
Height: 1.13 Width: 6.00 Depth: 9.00
Language: English
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.
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.
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