COMPUTATION OF ELECTRON REPULSION INTEGRALS USING THE RYS QUADRATURE METHOD

被引：223

作者：

RYS, J ^{[1
]}

DUPUIS, M ^{[1
]}

KING, HF ^{[1
]}

机构：

[1] SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214

来源：

JOURNAL OF COMPUTATIONAL CHEMISTRY | 1983年 / 4卷 / 02期

关键词：

D O I：

10.1002/jcc.540040206

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：154 / 157

页数：4

共 11 条

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[7] NUMERICAL-INTEGRATION USING RYS POLYNOMIALS [J].

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[10] MOLECULAR SYMMETRY .3. 2ND DERIVATIVES OF ELECTRONIC-ENERGY WITH RESPECT TO NUCLEAR COORDINATES [J].

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DUPUIS, M ;

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JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (01) :332-336

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