CONVERGENCE OF VALENCE-BOND CALCULATION FOR METHANE

被引：41

作者：

RAIMONDI, M ^{[1
]}

CAMPION, W ^{[1
]}

KARPLUS, M ^{[1
]}

机构：

[1] HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138

来源：

MOLECULAR PHYSICS | 1977年 / 34卷 / 05期

关键词：

D O I：

10.1080/00268977700102681

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：1483 / 1492

页数：10

共 16 条

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[3] COULSON CA, 1949, PHILOS MAG, V40, P386
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[6] PNO-CI STUDIES OF ELECTRON CORRELATION EFFECTS .1. CONFIGURATION EXPANSION BY MEANS OF NONORTHOGONAL ORBITALS, AND APPLICATION TO GROUND-STATE AND IONIZED STATES OF METHANE
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (03) : 1017 - 1035
[7] VALENCE-BOND CALCULATION OF ELECTRONIC-STRUCTURE OF BENZENE
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[8] COMPARISON OF VARIOUS CI TREATMENTS FOR DESCRIPTION OF POTENTIAL CURVES FOR LOWEST 3 STATES OF O2
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[J]. CHEMICAL PHYSICS LETTERS, 1972, 16 (02) : 235 - +
[9] OPTIMIZED MOLECULAR ORBITAL WAVEFUNCTIONS FOR METHANE CONSTRUCTED FROM A MINIMUM BASIS SET
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[10] PRAISER F, 1968, INT J QUANT CHEM, V2, P89

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