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

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

  • ただいまウェブストアではご注文を受け付けておりません。 ⇒古書を探す
  • 製本 Paperback:紙装版/ペーパーバック版／ページ数 274 p.
  • 言語 ENG
  • 商品コード 9789819742981

Full 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.

Contents

Introduction.- Exact Semiclassical Mechanics.- Approximation Semiclassical Mechanics.