Semiclassical Nonadiabatic Molecular Dynamics Theory and Simulation with and without Classical Trajectories /
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-drive...
Պահպանված է:
| Հիմնական հեղինակ: | |
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| Համատեղ հեղինակ: | |
| Ձևաչափ: | Էլեկտրոնային էլ․ գիրք |
| Լեզու: | անգլերեն |
| Հրապարակվել է: |
Singapore :
Springer Nature Singapore : Imprint: Springer,
2024.
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| Հրատարակություն: | 1st ed. 2024. |
| Շարք: | Challenges and Advances in Computational Chemistry and Physics,
38 |
| Խորագրեր: | |
| Առցանց հասանելիություն: | https://doi.org/10.1007/978-981-97-4296-7 |
| Ցուցիչներ: |
Ավելացրեք ցուցիչ
Չկան պիտակներ, Եղեք առաջինը, ով նշում է այս գրառումը!
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| Ամփոփում: | 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. |
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| Ֆիզիկական նկարագրություն: | XI, 274 p. 127 illus., 124 illus. in color. online resource. |
| ISBN: | 9789819742967 |
| ISSN: | 2542-4483 ; |
| DOI: | 10.1007/978-981-97-4296-7 |