Semiclassical Nonadiabatic Molecular Dynamics
Produktnummer:
186305d3545b0e4ebd931508c9d9feefa6
Autor: | Zhu, Chaoyuan |
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Themengebiete: | Born-Oppenheimer Approximation Classical Trajectories Conical Intersections Electronically Excited States Intersystem Crossings Large-system molecular dynamics Nonadiabatic Molecular Dynamics Photochemistry Potential Energy Surfaces Semiclassical methods |
Veröffentlichungsdatum: | 03.08.2024 |
EAN: | 9789819742950 |
Sprache: | Englisch |
Seitenzahl: | 274 |
Produktart: | Gebunden |
Verlag: | Springer Singapore |
Untertitel: | Theory and Simulation with and without Classical Trajectories |
Produktinformationen "Semiclassical Nonadiabatic Molecular Dynamics"
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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