株式会社極東書店トップ ＞ 商品一覧 ＞ Nonlinear Hamiltonian Mechanics Applied to Molecular Dynamics: Theory and Computational Methods for Understanding Molecular Spectroscopy and Chemical Reactions. 2014 ed.
商品詳細
Nonlinear Hamiltonian Mechanics Applied to Molecular Dynamics: Theory and Computational Methods for Understanding Molecular Spectroscopy and Chemical Reactions. 2014 ed.
・ISBN 978-3-319-09987-3 paper EUR 49.99
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| 著者・編者 | Farantos, Stavros C., |
|---|---|
| シリーズ | (SpringerBriefs in Molecular Science) |
| 出版社 | (Springer International Publishing AG, SZ) |
| 出版年月 | 2014 |
| ページ数 | 158 pp. |
| 言語 | ENG |
| ニュース番号 | ＜A05-38648＞ |
解説
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.