CAUSSIAN BASIS SETS FOR FIRST AND SECOND ROW ATOMS

被引：621

作者：

ROOS, B

SIEGBAHN, P

机构：

来源：

THEORETICA CHIMICA ACTA | 1970年 / 17卷 / 03期

关键词：

D O I：

10.1007/BF00527179

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：209 / &

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共 15 条

[1] GAUSSIAN-ORBITAL BASIS SETS FOR FIRST-ROW TRANSITION-METAL ATOMS
BASCH, H
HORNBACK, CJ
MOSKOWITZ, JW
[J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (04) : 1311 - +
[2] CLEMENTI E, 1965, IBM J RES DEV S, V9, P1
[3] NON-EMPIRICAL LCAO-MO-SCF-CI CALCULATIONS ON ORGANIC MOLECULES WITH GAUSSIAN TYPE FUNCTIONS .I. INTRODUCTORY REVIEW AND MATHEMATICAL FORMALISM
CSIZMADI.IG
HARRISON, MC
MOSKOWIT.JW
SUTCLIFF.BT
[J]. THEORETICA CHIMICA ACTA, 1966, 6 (03): : 191 - &
[4] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .I. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS
HEHRE, WJ
STEWART, RF
POPLE, JA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (06) : 2657 - +
[5] GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I.
HUZINAGA, S
[J]. JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) : 1293 - &
[6] GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .2.
HUZINAGA, S
SAKAI, Y
[J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (03) : 1371 - &
[7] GAUSSIAN LOBE FUNCTION EXPANSIONS OF HARTREE-FOCK SOLUTIONS FOR SECOND-ROW ATOMS
PETKE, JD
WHITTEN, JL
DOUGLAS, AW
[J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (01) : 256 - &
[8] POLARIZATION FUNCTIONS FOR FIRST AND SECOND ROW ATOMS IN GAUSSIAN TYPE MO-SCF CALCULATIONS
ROOS, B
SIEGBAHN, P
[J]. THEORETICA CHIMICA ACTA, 1970, 17 (03): : 199 - &
[9] ROOS B, 1968, GENERAL PROGRAM CALC
[10] A COMPARISON OF DIFFERENT CONTRACTIONS FOR MOLECULAR CALCULATIONS WITH GAUSSIAN-TYPE FUNCTIONS
SALEZ, C
VEILLARD, A
[J]. THEORETICA CHIMICA ACTA, 1968, 11 (05): : 441 - &