LCAO-MO-SCF CALCULATIONS USING GAUSSIAN BASIS FUNCTIONS .11. BENE AND BEAR - DESIRABLE CRITERIA FOR ATOMIC CONTRACTION COEFFICIENTS FOR MOLECULAR FORMATION AND VALENCE-SHELL CORRELATION

被引：14

作者：

KAUFMAN, JJ ^{[1
]}

机构：

[1] JOHNS HOPKINS UNIV,DEPT CHEM,BALTIMORE,MD 21218

来源：

JOURNAL OF CHEMICAL PHYSICS | 1973年 / 58卷 / 11期

关键词：

D O I：

10.1063/1.1679072

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：4880 / 4890

页数：11

共 14 条

[1]

DAVIDSON ER, 1970, PRIVATE COMMUNICATIO

[2] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS [J].

DUNNING, TH .

JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) :2823-+

[3] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .3. CONTRACTION OF (10S6P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS [J].

DUNNING, TH .

JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (02) :716-+

[4] GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .2. [J].

HUZINAGA, S ;

SAKAI, Y .

JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (03) :1371-&

[5]

HUZINAGA S, 1970, J CHEM PHYS, V52, P224

[6] LCAO-MO-SCF CALCULATIONS USING GAUSSIAN BASIS FUNCTIONS .9. POSSIBLE RARE GAS ADDUCTS WITH BERYLLIUM SPECIES, HEBEH2 AND BEHE [J].

KAUFMAN, JJ ;

SACHS, LM .

JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (07) :3534-&

[7] LCAO-MO-SCF CALCULATIONS USING GAUSSIAN BASIS FUNCTIONS .10. ALLI-SCF RESULTS AND IMPLICATIONS FOR CHOOSING CONFIGURATIONS FOR CONFIGURATION INTERACTION CALCULATIONS [J].

KAUFMAN, JJ .

JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (04) :1680-1688

[8] LCAO-MO-SCF CALCULATIONS USING GAUSSIAN BASIS FUNCTIONS .2. BEH2 [J].

KAUFMAN, JJ ;

SACHS, LM ;

GELLER, M .

JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (10) :4369-&

[9]

KAUFMAN JJ, 1966, 152 AM CHEM SOC NAT

[10]

KAUFMAN JJ, UNPUBLISHED

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