A METHOD TO REDUCE THE NUMBER OF 2 ELECTRON INTEGRAL TRANSFORMATIONS IN A 2ND-ORDER MULTICONFIGURATIONAL HARTREE-FOCK PROCEDURE

被引：15

作者：

JORGENSEN, P ^{[1
]}

ALBERTSEN, P ^{[1
]}

YEAGER, DL ^{[1
]}

机构：

[1] TEXAS A&M UNIV,COLL SCI,DEPT CHEM,COLLEGE STN,TX 77843

来源：

JOURNAL OF CHEMICAL PHYSICS | 1980年 / 72卷 / 12期

关键词：

D O I：

10.1063/1.439147

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：6466 / 6473

页数：8

共 50 条

[1] 2ND-ORDER AND HIGHER-ORDER CONVERGENCE IN LINEAR AND NON-LINEAR MULTICONFIGURATIONAL HARTREE-FOCK THEORY
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[8] ANALYTIC EVALUATION OF 2ND DERIVATIVES USING 2ND-ORDER MANY-BODY PERTURBATION-THEORY AND UNRESTRICTED HARTREE-FOCK REFERENCE FUNCTIONS
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[9] TIME-DEPENDENT HARTREE-FOCK 2ND-ORDER MOLECULAR-PROPERTIES WITH A MODERATELY SIZED BASIS SET .2. DISPERSION COEFFICIENTS
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[10] UNCOUPLED HARTREE-FOCK VARIATION-PERTURBATION METHODS AND THEIR APPLICATIONS .3. 2ND-ORDER MAGNETIC-PROPERTIES OF HF AND (HF)2
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