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Beschreibung
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.
Theory and Simulation with and without Classical Trajectories
Theory and Simulation with and without Classical Trajectories
Details
| Verlag | Springer Singapore |
| Ersterscheinung | 04. August 2025 |
| Maße | 23.5 cm x 15.5 cm |
| Gewicht | 493 Gramm |
| Format | Softcover |
| ISBN-13 | 9789819742981 |
| Seiten | 274 |
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