Time-Dependent Density Functional Theory (eBook)

Nonadiabatic Molecular Dynamics

Chaoyuan Zhu (Herausgeber)

eBook Download: EPUB

2022
520 Seiten
Jenny Stanford Publishing (Verlag)
978-1-000-64708-2 (ISBN)

Infos

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.

Produkt-Details

• Erscheint lt. Verlag: 29.12.2022
• Sprache: englisch
• Themenwelt: Naturwissenschaften ► Biologie ► Genetik / Molekularbiologie
• Themenwelt: Naturwissenschaften ► Chemie ► Physikalische Chemie
• Themenwelt: Naturwissenschaften ► Physik / Astronomie ► Atom- / Kern- / Molekularphysik
• ISBN-10: 1-000-64708-0 / 1000647080
• ISBN-13: 978-1-000-64708-2 / 9781000647082