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Semiclassical Nonadiabatic Molecular Dynamics

By Chaoyuan Zhu

Semiclassical Nonadiabatic Molecular Dynamics

By Chaoyuan Zhu

0 - Default Title
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.
Product details
Binding:
Paperback
Number of Pages:
288
Release Date:
2025-08-04
Publication Date:
2025-08-04
Publisher:
Springer
Languages:
Original: English
ISBN10:
9819742986
ISBN13:
9789819742981
GPSR Manufacturer Reference:
[email protected]
Weight:
493 g
Height:
155 cm
Width:
235 cm
Thickness:
15 cm
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