EFFICIENT CL CALCULATIONS UTILIZING SYMMETRIC GROUP

被引：13

作者：

GALLUP, GA

NORBECK, JM

机构：

[1] UNIV NEBRASKA, DEPT CHEM, LINCOLN, NE 68508 USA

[2] UNIV WISCONSIN, THEORET CHEM INST, MADISON, WI 53706 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 1976年 / 64卷 / 05期

关键词：

D O I：

10.1063/1.432441

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：2179 / 2185

页数：7

共 28 条

[1]

BENDER CF, 1970, J PHYS CHEM-US, V70, P2695

[2] ELECTRONIC WAVE FUNCTIONS .6. SOME THEOREMS FACILITATING THE EVALUATION OF SCHRODINGER INTEGRALS OF VECTOR-COUPLED FUNCTIONS [J].

BOYS, SF .

PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1952, 245 (893) :95-115

[3] 2ND QUANTIZED FORMULATION OF VALENCE BOND THEORY [J].

CANTU, AA ;

KLEIN, DJ ;

MATSEN, FA ;

SELIGMAN, TH .

THEORETICA CHIMICA ACTA, 1975, 38 (04) :341-354

[4] The theory of complex spectra [J].

Condon, EU .

PHYSICAL REVIEW, 1930, 36 (07) :1121-1133

[5] STUDIES IN CONFIGURATION INTERACTION .I. MATRIX ELEMENTS BETWEEN SPIN-COUPLED FUNCTIONS [J].

COOPER, IL ;

MCWEENY, R .

JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (01) :226-&

[6] MC-SCF AND CI CALCULATIONS FOR AMMONIA MOLECULE [J].

DEJARDIN, P ;

KOCHANSK.E ;

VEILLARD, A ;

ROOS, B ;

SIEGBAHN, P .

JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (10) :5546-5553

[7] CONFIGURATION INTERACTION BY METHOD OF BONDED FUNCTIONS, SOME PRELIMINARY CALCULATIONS [J].

DIERCKSEN, GH ;

SUTCLIFFE, BT .

THEORETICA CHIMICA ACTA, 1974, 34 (02) :105-114

[8] The quantum theory of the electron - Part II [J].

Dirac, PAM .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-CONTAINING PAPERS OF A MATHEMATICAL AND PHYSICAL CHARACTER, 1928, 118 (779) :351-361

[9] The quantum theory of the electron [J].

Dirac, PAM .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-CONTAINING PAPERS OF A MATHEMATICAL AND PHYSICAL CHARACTER, 1928, 117 (778) :610-624

[10] N-ELECTRON PROBLEM AND MATRICES REPRESENTING SYMMETRIC GROUPS [J].

GALLUP, GA .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1972, 6 (04) :761-&

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