| 書目名稱 | Methods of Electronic Structure Theory | | 編輯 | Henry F. Schaefer | | 視頻video | http://file.papertrans.cn/633/632376/632376.mp4 | | 叢書名稱 | Modern Theoretical Chemistry | | 圖書封面 |  | | 描述 | These two volumes deal with the quantum theory of the electronic structure of molecules. Implicit in the term ab initio is the notion that approximate solutions of Schr?dinger‘s equation are sought "from the beginning," i. e. , without recourse to experimental data. From a more pragmatic viewpoint, the distin- guishing feature of ab initio theory is usually the fact that no approximations are involved in the evaluation of the required molecular integrals. Consistent with current activity in the field, the first of these two volumes contains chapters dealing with methods per se, while the second concerns the application of these methods to problems of chemical interest. In asense, the motivation for these volumes has been the spectacular recent success of ab initio theory in resolving important chemical questions. However, these applications have only become possible through the less visible but equally important efforts of those develop- ing new theoretical and computational methods and models. Henry F Schaefer Vll Contents Contents of Volume 4 XIX Chapter 1. Gaussian Basis Sets for Molecular Calculations Thom. H. Dunning, Ir. and P. Ieffrey Hay 1. Introduction . . . . . . . . . . | | 出版日期 | Book 1977 | | 關(guān)鍵詞 | Atom; Configuration Interaction; ab initio calculation; atoms; chemistry; experiment; hydrogen; hydrogen at | | 版次 | 1 | | doi | https://doi.org/10.1007/978-1-4757-0887-5 | | isbn_softcover | 978-1-4757-0889-9 | | isbn_ebook | 978-1-4757-0887-5 | | copyright | Springer Science+Business Media New York 1977 |
The information of publication is updating
|
|
|Archiver|手機(jī)版|小黑屋|
派博傳思國際
( 京公網(wǎng)安備110108008328)
GMT+8, 2025-10-21 09:33
發(fā)表于 2025-3-21 16:13:49
