| 书目名称 | Semiclassical Nonadiabatic Molecular Dynamics |
| 副标题 | Theory and Simulatio |
| 编辑 | Chaoyuan Zhu |
| 视频video | |
| 概述 | Provides a comprehensive description of semiclassical methods starting from Stokes phenomenon in mathematics.Addresses both the simple and accurate nonadiabatic molecular dynamics with and without cla |
| 丛书名称 | Challenges and Advances in Computational Chemistry and Physics |
| 图书封面 |  |
| 描述 | .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.. |
| 出版日期 | Book 2024 |
| 关键词 | Nonadiabatic Molecular Dynamics; Semiclassical methods; Born-Oppenheimer Approximation; Photochemistry; |
| 版次 | 1 |
| doi | https://doi.org/10.1007/978-981-97-4296-7 |
| isbn_softcover | 978-981-97-4298-1 |
| isbn_ebook | 978-981-97-4296-7Series ISSN 2542-4491 Series E-ISSN 2542-4483 |
| issn_series | 2542-4491 |
| copyright | Springer Nature Singapore Pte Ltd. 2024 |
发表于 2025-3-21 16:57:00
