Zhu C Semiclassical Nonadiabatic Molecular Dynamics Theory and Simulation 2024
General:
Name: Zhu C Semiclassical Nonadiabatic Molecular Dynamics Theory and Simulation 2024
Format: pdf
Size: 10.88 MB
Book:
Title: Semiclassical Nonadiabatic Molecular Dynamics
Author: Chaoyuan Zhu
Language: polski
Year: 2024
Subjects: Science & Technology, Chemistry, Physical & Theoretical Chemistry
Publisher: Springer-Verlag New York, LLC
ISBN: 9789819742967
Total pages: 285
Description:
This book shows how to derive the simple and accurate semiclassical methods analytically and its applications to excited-state molecular dynamics and spectroscopy simulation with and without classical trajectories. It consists of eight chapters demonstrating interesting conical and intersystem-driven photochemical processes in complex systems targeting on large-scale ab initio direct nonadiabatic molecular dynamics. It also includes two chapters dealing with time-independent and time-dependent nonadiabatic molecular dynamics and clarifies the underline principle of Born-Oppenheimer approximation associated with coherence/decoherence quantum effects that have a wide range of applications in photochemistry and photophysics. This book is interesting and useful to a wide readership in the various fields of basic quantum chemistry and physics associated with large-scale excited-state simulation of nonadiabatic molecular dynamics and spectroscopy.
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