| 书目名称 | Numerical Determination of the Electronic Structure of Atoms, Diatomic and Polyatomic Molecules | | 编辑 | Mireille Defranceschi,Joseph Delhalle | | 视频video | | | 丛书名称 | Nato Science Series C: | | 图书封面 |  | | 描述 | Quantum mechanical calculations in physics, chemistry and biology are widely recognized as useful interpretative and predictive tools. Unfortunately, they are plagued by unfavorable convergence limitations due to the use of finite linear combinations of basis functions. With the current computer technologies, there is a possible way out to the situation by solving numerically the corresponding wave equations. The present interest and need for numerical determination of electronic structure of atoms, diatomic and poly atomic molecules led us to organize a NATO-ARW devoted to these questions. The aim of the meeting was to provide a review of the state of the art about techniques and applications. The organizing committee consisted of Drs. G. Berthier, P. Claverie, M. Defranceschi, J. Delhalle, H.J. Monkhorst and P. Pyykk6. It was a great sorrow for us to be informed in January 88 of the death of Professor P. Claverie who supported so enthusiastically the idea of having such a meeting organized. The NATO Advanced Research Worshop on : " Numerical Determination of the Electronic Structure of Atoms, Diatomic and Poly atomic Molecules" was held at Versailles (France) from April 17th till | | 出版日期 | Book 1989 | | 关键词 | Approximation; Interpolation; Mathematica; algorithms; diatomic molecule; molecule; numerical methods | | 版次 | 1 | | doi | https://doi.org/10.1007/978-94-009-2329-4 | | isbn_softcover | 978-94-010-7547-3 | | isbn_ebook | 978-94-009-2329-4Series ISSN 1389-2185 | | issn_series | 1389-2185 | | copyright | Kluwer Academic Publishers 1989 |
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