Download Time-Dependent Density Functional Theory: Nonadiabatic Molecular Dynamics

Time-Dependent Density Functional Theory: Nonadiabatic Molecular Dynamics book pdf download. Tn recent decades, time-dependent density functional theory (DFT) 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.

eBook details
  • Author (s): Chaoyuan Zhu
  • Year of publication: 2022
  • Publisher: Springer
  • Writing language: English
  • ISBN: 9789814968423, 9781003319214
  • Number of pages: 520 pages
  • Book format: PDF
  •  File size: 13 MB
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