CORRELATION ENERGIES FOR AHN MOLECULES AND CATIONS

被引：104

作者：

POPLE, JA ^{[1
]}

BINKLEY, JS ^{[1
]}

机构：

[1] CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213

来源：

MOLECULAR PHYSICS | 1975年 / 29卷 / 02期

关键词：

D O I：

10.1080/00268977500100511

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页码：599 / 611

页数：13

共 12 条

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[3]

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[6] SELF-CONSISTENT MOLECULAR ORBITAL METHODS .6. ENERGY OPTIMIZED GAUSSIAN ATOMIC ORBITALS [J].

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HEHRE, WJ ;

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[7] ACCURACY OF AH EQUILIBRIUM GEOMETRIES BY SINGLE DETERMINANT MOLECULAR-ORBITAL THEORY [J].

HARIHARAN, PC ;

POPLE, JA .

MOLECULAR PHYSICS, 1974, 27 (01) :209-214

[8] RELATIVISTIC CORRECTION FOR ANALYTIC HARTREE-FOCK WAVE FUNCTIONS [J].

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PHYSICAL REVIEW A-GENERAL PHYSICS, 1964, 133 (5A) :1295-&

[9]

Hay PJ, 1971, CHEM PHYS LETT, V9, P356, DOI 10.1016/0009-2614(71)80242-7

[10]

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