NONORTHOGONAL ATOMIC SELF-CONSISTENT FIELD ORBITALS

被引：11

作者：

RAFFENETTI, RC

RUEDENBERG, K

机构：

[1] IOWA STATE UNIV, DEPT CHEM, AMES, IA 50010 USA

[2] ATOM ENERGY COMM, AMES LAB, AMES, IA 50010 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 1973年 / 59卷 / 11期

关键词：

D O I：

10.1063/1.1679963

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

收藏

页码：5950 / 5955

页数：6

相关论文

共 6 条

[1] EVEN-TEMPERED ATOMIC ORBITALS .3. ECONOMIC DEPLOYMENT OF GAUSSIAN PRIMITIVES IN EXPANDING ATOMIC SCF ORBITALS [J].

BARDO, RD ;

RUEDENBERG, K .

JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (11) :5956-5965

[2] EVEN-TEMPERED ATOMIC ORBITALS .4. ATOMIC ORBITAL BASES WITH PSEUDOSCALING CAPABILITY FOR MOLECULAR CALCULATIONS [J].

BARDO, RD ;

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JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (11) :5966-5977

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IBM JOURNAL OF RESEARCH AND DEVELOPMENT, 1965, 9 (01) :2-&

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

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[5] GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I. [J].

HUZINAGA, S .

JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) :1293-&

[6] EVEN-TEMPERED ATOMIC ORBITALS .5. SCF CALCULATIONS OF TRIALKALI IONS WITH PSEUDOSCALED, NONORTHOGONAL AO BASES [J].

RAFFENETTI, RC ;

RUEDENBERG, K .

JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (11) :5978-5991