Semiclassical Nonadiabatic Molecular Dynamics: Theory and Simulation with and without Classical Trajectories (2024) (Challenges and Advances in Computational Chemistry and Physics #38)

By: Chaoyuan Zhu

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Synopsis: 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.

Book Quality:: Publisher Quality
ISBN-13:: 9789819742967
Related ISBNs:: 9789819742950
Publisher:: Springer Nature Singapore
Date of Addition:: 08/02/24
Copyrighted By:: Springer Nature Singapore Pte Ltd.
Adult content:: No
Language:: English
Has Image Descriptions:: No
Categories:: Nonfiction, Science, Earth Sciences, Mathematics and Statistics
Submitted By:: Bookshare Staff
Usage Restrictions:: This is a copyrighted book.