MOLECULAR CALCULATIONS .2. METHODS OF APPROXIMATION OF MOLECULAR INTEGRALS

被引：44

作者：

ELLISON, FO

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1955年 / 23卷 / 12期

关键词：

D O I：

10.1063/1.1741880

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：2358 / 2365

页数：8

共 30 条

[1] APPROXIMATE INTEGRAL EVALUATIONS USED IN THE MOLECULAR QUANTUM MECHANICS OF NONLINEAR MOLECULES [J].

BARKER, RS ;

EYRING, H .

JOURNAL OF CHEMICAL PHYSICS, 1954, 22 (12) :2072-2077

[2] EVALUATION OF SOME ELECTRON REPULSION INTEGRALS NEEDED IN MOLECULAR QUANTUM MECHANICS .2. USE OF THE NEUMANN EXPANSION IN EVALUATION OF 2 ELECTRON 3-CENTER REPULSION INTEGRALS [J].

BARKER, RS ;

EYRING, H .

JOURNAL OF CHEMICAL PHYSICS, 1954, 22 (01) :114-119

[3] A STUDY OF 3-CENTER INTEGRALS USEFUL IN MOLECULAR QUANTUM MECHANICS [J].

BARKER, RS ;

EYRING, H .

JOURNAL OF CHEMICAL PHYSICS, 1953, 21 (05) :912-917

[4] A quantum mechanics treatment of the water molecule [J].

Coolidge, AS .

PHYSICAL REVIEW, 1932, 42 (02) :189-209

[5]

Coulson CA, 1937, P CAMB PHILOS SOC, V33, P104

[6]

Coulson CA, 1935, P CAMB PHILOS SOC, V31, P244

[7] MOLECULAR CALCULATIONS .1. LCAO MO SELF-CONSISTENT FIELD TREATMENT OF THE GROUND STATE OF H2O [J].

ELLISON, FO ;

SHULL, H .

JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (12) :2348-2357

[8]

HIRSCHFELDER, 1936, J CHEM PHYS, V4, P121

[9]

HIRSCHFELDER, 1937, J CHEM PHYS, V5, P695

[10] Integrals required for computing the energy of H-3 and of H-3(+) [J].

Hirschfelder, JO ;

Weygandt, CN .

JOURNAL OF CHEMICAL PHYSICS, 1938, 6 (12) :806-810

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