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Time-Dependent Density Functional Theory: Nonadiabatic Molecular Dynamics

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Time-Dependent Density Functional Theory: Nonadiabatic Molecular Dynamics - Zhu, Chaoyuan (Editor)
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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 ...

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Time-Dependent Density Functional Theory: Nonadiabatic Molecular Dynamics 2022, Jenny Stanford Publishing

ISBN-13: 9789814968423

Hardcover