Semiclassical Nonadiabatic Molecular Dynamics: Theory and Simulation with and with... - Printable Version +- Softwarez.Info - Software's World! (https://softwarez.info) +-- Forum: Library Zone (https://softwarez.info/Forum-Library-Zone) +--- Forum: E-Books (https://softwarez.info/Forum-E-Books) +--- Thread: Semiclassical Nonadiabatic Molecular Dynamics: Theory and Simulation with and with... (/Thread-Semiclassical-Nonadiabatic-Molecular-Dynamics-Theory-and-Simulation-with-and-with) |
Semiclassical Nonadiabatic Molecular Dynamics: Theory and Simulation with and with... - AD-TEAM - 08-13-2024
pdf | 17.81 MB | English | Isbn:9789819742950 | Author: Chaoyuan Zhu | Year: 2024
About ebook: Semiclassical Nonadiabatic Molecular Dynamics: Theory and Simulation with and without Classical Trajectories Quote: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 phohemical 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 phohemistry 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. |