Download Semiclassical Nonadiabatic Molecular Dynamics: Theory and Simulation 2024
Semiclassical Nonadiabatic Molecular Dynamics: Theory and Simulation with and without Classical Trajectories in Computational Chemistry. 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.
- Author (s): Chaoyuan Zhu
- Year of publication: 2024
- Publisher: Springer
- Language: English
- ISBN: 9789819742950, 9789819742967, 9819742951
- Number of pages: 280 pages
- Book format: PDF
- File size: 9 MB
