Molecular Integral for the Double Electron-Repulsion Potential: A Closed Form Underived for Forty Years  

Molecular Integral for the Double Electron-Repulsion Potential: A Closed Form Underived for Forty Years

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作  者:Kazuhiro Ishida 

机构地区:[1]Department of Chemistry and Frontier Research Centre for Computational Sciences, Faculty of Science,Tokyo University of Science, Shinjuku-ku, Tokyo 162-8601, Japan

出  处:《Chinese Physics Letters》2005年第12期3052-3053,共2页中国物理快报(英文版)

摘  要:A closed form of the title integral formula over the Gaussian-type orbitals is derived for the first time. The present closed form is analytical as the multiple hyper-geometric function of five variables.A closed form of the title integral formula over the Gaussian-type orbitals is derived for the first time. The present closed form is analytical as the multiple hyper-geometric function of five variables.

关 键 词:3-BODY INTERACTION INTEGRALS MATHEMATICAL METHODS SHELL ATOMS IONS 

分 类 号:O565[理学—原子与分子物理]

 

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