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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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.

作者 Kazuhiro Ishida

机构地区 Department of Chemistry and Frontier Research Centre for Computational Sciences

出处《Chinese Physics Letters》 SCIE CAS CSCD 2005年第12期3052-3053,共2页 中国物理快报（英文版）

关键词 3-BODY INTERACTION INTEGRALS MATHEMATICAL METHODS SHELL ATOMS IONS 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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1Luchow A and Kleindienst H 1993 Int. J. Quantum Chem.45 445.
2Zimering S 1965 J. Math. Phys. 6 336.
3Zimering S 1967 J. Math. Phys. 8 1266.
4Roberts P J 1966 Proc. Phys.Soc. 89 67.
5Roberts P J 1966 Proc. Phys. Soc. 89 269.
6Ishida K 2002 J. Comput. Chem. 23 378.
7Exton H 1976 Multiple Hypergeometric Functions and Applications (Chichester: Ellis Horwood).

1李延欣,董夏兰,潘守甫.分子积分中辅助函数的任意精度计算(Ⅱ)——用向前递推方案计算第一类变型球Bessel函数[J].计算物理,1992,9(A02):717-718.
2李延欣,董夏兰,潘守甫.分子积分中辅助函数的任意精度计算(Ⅰ)——用向前递推方案计算不完全Gamma函数[J].计算物理,1992,9(A02):714-716.
3刘小会,高海峰.二维正态分布的高精度计算[J].数学学习与研究,2015(15):104-104.
4陈静,候邦品.封闭结构三能级原子系统中的压缩和纠缠特性[J].四川师范大学学报（自然科学版）,2014,37(5):676-683.
5甘正汀,苏克和,王育邠,文振翼.组态相互作用计算中耦合系数的快速确定[J].中国科学（B辑）,1998,28(5):421-430. 被引量：6
6刘雨春,刘福林.用奇异函数求具有悬臂端环板极限荷载的另一种方法[J].大学数学,1992,13(2):33-38. 被引量：1
7仇晓芳.“数形结合”——让数学学习更容易[J].学生之友（小学版）,2013(10):9-9.
8肖长明,罗久里.A generalized harmonic oscillator model of energy level particles and NNS distribution——A unified theory for NNS distribution of energy level fluctuation spectra[J].Science China Chemistry,1998,41(2):207-214.
9王新龙.Reflections and mirror effect of parametrically-excited solitons at a boundary[J].Science China Mathematics,1995,38(3):335-341.
10路见可.PLANE ELASTIC PROBLEMS OF DIFFERENT MEDIA WITH CRACKS ON THE INTERFACE[J].Applied Mathematics(A Journal of Chinese Universities),1993,8(1):15-24. 被引量：1

Chinese Physics Letters

2005年第12期

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

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