| 书目名称 | Nonlinear Hamiltonian Mechanics Applied to Molecular Dynamics |
| 副标题 | Theory and Computati |
| 编辑 | Stavros C. Farantos |
| 视频video | |
| 概述 | Examples from model systems and real molecules.Combines theory and numerical applications to facilitate understanding.Includes supplementary material: |
| 丛书名称 | SpringerBriefs in Molecular Science |
| 图书封面 |  |
| 描述 | .This brief presents numerical methods for describing and calculating invariant phase space structures, as well as solving the classical and quantum equations of motion for polyatomic molecules. Examples covered include simple model systems to realistic cases of molecules spectroscopically studied..Vibrationally excited and reacting molecules are nonlinear dynamical systems, and thus, nonlinear mechanics is the proper theory to elucidate molecular dynamics by investigating invariant structures in phase space. Intramolecular energy transfer, and the breaking and forming of a chemical bond have now found a rigorous explanation by studying phase space structures.. |
| 出版日期 | Book 2014 |
| 关键词 | Chemical Dynamics; Modeling of Chemical Reactions; Non-linear Dynamics; Phase Space Structures; Quantum |
| 版次 | 1 |
| doi | https://doi.org/10.1007/978-3-319-09988-0 |
| isbn_softcover | 978-3-319-09987-3 |
| isbn_ebook | 978-3-319-09988-0Series ISSN 2191-5407 Series E-ISSN 2191-5415 |
| issn_series | 2191-5407 |
| copyright | The Author(s) 2014 |
发表于 2025-3-21 19:08:03
