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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 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.
Produkteigenschaften
- Artikelnummer: 9789819742950
- Medium: Buch
- ISBN: 978-981-97-4295-0
- Verlag: Springer Nature Singapore
- Erscheinungstermin: 03.08.2024
- Sprache(n): Englisch
- Auflage: 2024
- Serie: Challenges and Advances in Computational Chemistry and Physics
- Produktform: Gebunden
- Gewicht: 652 g
- Seiten: 274
- Format (B x H x T): 160 x 241 x 21 mm
- Ausgabetyp: Kein, Unbekannt