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Semiclassical Nonadiabatic Molecular Dynamics
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This book shows how to derive the simple and accurate semiclassical methods analytically and its applications to excited-state molecular dynamics and spectrosco
Time-Dependent Density Functional Theory
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In recent decades, time-dependent density functional theory has been developed for computing excited-state properties of large-scale systems to high accuracy in
Non-adiabatic Molecular Dynamics by Accelerated Semiclassical Monte Carlo
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Non-adiabatic dynamics, where systems non-radiatively transition between electronic states, plays a crucial role in many photo-physical processes, such as fluor
Semiclassical Molecular Dynamics Simulation Method
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Various quantum mechanical effects such as nonadiabatic transition, tunneling, and interference phenomena play crucial roles in chemical and biological systems.