A NUMERICAL MULTICONFIGURATION SELF-CONSISTENT-FIELD METHOD FOR DIATOMIC-MOLECULES

被引：44

作者：

ADAMOWICZ, L ^{[1
]}

MCCULLOUGH, EA ^{[1
]}

机构：

[1] UTAH STATE UNIV,DEPT CHEM & BIOCHEM,LOGAN,UT 84322

来源：

JOURNAL OF CHEMICAL PHYSICS | 1981年 / 75卷 / 05期

关键词：

D O I：

10.1063/1.442277

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：2475 / 2476

页数：2

共 13 条

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[4] LIH PROPERTIES, ROTATION-VIBRATIONAL ANALYSIS, AND TRANSITION MOMENTS FOR X1SIGMA+, A1SIGMA+, B1PI, 3SIGMA+, AND 3PI [J].

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HINZE, J .

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Fischer C. Froese, 1977, HARTREE FOCK METHOD

[7]

FISCHER CF, 1978, J COMPUT PHYS, V27, P221, DOI 10.1016/0021-9991(78)90006-2

[8] MC-SCF .1. MULTI-CONFIGURATION SELF-CONSISTENT-FIELD METHOD [J].

HINZE, J .

JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (12) :6424-6432

[9] PARTIAL-WAVE SELF-CONSISTENT-FIELD METHOD FOR DIATOMIC-MOLECULES - COMPUTATIONAL FORMALISM AND RESULTS FOR SMALL MOLECULES [J].

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JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (10) :3991-3999

[10]

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