GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .4. REPRESENTATION OF POLARIZATION FUNCTIONS FOR FIRST ROW ATOMS AND HYDROGEN

被引：404

作者：

DUNNING, TH

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1971年 / 55卷 / 08期

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D O I：

10.1063/1.1676685

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：

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页码：3958 / &

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[1] ELECTRONIC STRUCTURE OF DIATOMIC MOLECULES .6A. HARTREE-FOCK WAVEFUNCTIONS AND ENERGY QUANTITIES FOR GROUND STATES OF FIRST-ROW HYDRIDES AH
CADE, PE
HUO, WM
[J]. JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (02) : 614 - &
[2] ELECTRONIC STRUCTURE OF DIATOMIC MOLECULES .3. A HARTREE-FOCK WAVEFUNCTIONS AND ENERGY QUANTITIES FOR N2(X1SIGMAG+) AND N2+(X2SIGMAG+A 2PIU B2SIGMAU+) MOLECULAR IONS
CADE, PE
SALES, KD
WAHL, AC
[J]. JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (05) : 1973 - &
[3] Gaussian basis functions for use in molecular calculations. Contraction of (12s9p) atomic basis sets for the second row atoms
Dunning, T. H., Jr.
[J]. CHEMICAL PHYSICS LETTERS, 1970, 7 (04) : 423 - 427
[4] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) : 2823 - +
[5] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .3. CONTRACTION OF (10S6P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (02) : 716 - +
[6] Herzberg G., 1966, ELECT SPECTRA ELECT
[7] HORNBACK CJ, 1969, THESIS CASE I TECHNO
[8] ELECTRONIC STRUCTURE OF CO AND BF
HUO, WM
[J]. JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (02) : 624 - &
[9] GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I.
HUZINAGA, S
[J]. JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) : 1293 - &
[10] GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .2.
HUZINAGA, S
SAKAI, Y
[J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (03) : 1371 - &