SMALL GAUSSIAN BASIS SETS IN AB-INITIO CALCULATIONS

被引：21

作者：

JOHANSEN, H

机构：

来源：

THEORETICA CHIMICA ACTA | 1971年 / 21卷 / 01期

关键词：

D O I：

10.1007/BF00529085

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：9 / &

共 18 条

[1]

BENDAZZOLI GL, TO BE PUBLISHED

[2] ATOMIC SCREENING CONSTANTS FROM SCF FUNCTIONS [J].

CLEMENTI, E ;

RAIMONDI, DL .

JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (11) :2686-&

[3] AB INITIO COMPUTATIONS IN ATOMS AND MOLECULES [J].

CLEMENTI, E .

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

[4]

Clementi E, 1967, J COMPUT PHYS, V2, P223

[5] Approximate molecular wave-functions for H2S, PH3, SiH4 [J].

Cook, D. B. ;

Palmieri, P. .

CHEMICAL PHYSICS LETTERS, 1969, 3 (04) :219-222

[6] APPROXIMATE AB INITIO CALCULATIONS ON POLYATOMIC MOLECULES .2. [J].

COOK, DB ;

PALMIERI, P .

MOLECULAR PHYSICS, 1969, 17 (03) :271-&

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

HUZINAGA, S .

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

[8] GAUSSIAN EXPANSIONS OF MINIMAL STO BASIS FOR CALCULATIONS IN MOLECULAR QUANTUM MECHANICS [J].

KLESSINGER, M .

THEORETICA CHIMICA ACTA, 1969, 15 (04) :353-+

[9] COMPUTATION OF MOLECULAR PROPERTIES AND STRUCTURE [J].

MCLEAN, AD ;

YOSHIMIN.M .

IBM JOURNAL OF RESEARCH AND DEVELOPMENT, 1968, 12 (03) :206-&

[10]

MCWEENY R, 1968, S FARADAY SOCIETY, V2, P55

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