GENERAL ANALYTIC PROCEDURE FOR CALCULATING 2-CENTER INTEGRALS INVOLVING THE ONE-ELECTRON DIPOLAR COUPLING OPERATOR AND SLATER ATOMIC ORBITALS

被引：8

作者：

EDWARDS, SA ^{[1
]}

GOTTLIEB, HPW ^{[1
]}

DODDRELL, DM ^{[1
]}

机构：

[1] GRIFFITH UNIV, SCH SCI, NATHAN 4111, Qld, AUSTRALIA

来源：

MOLECULAR PHYSICS | 1979年 / 38卷 / 04期

关键词：

D O I：

10.1080/00268977900102311

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：1147 / 1164

页数：18

共 45 条

[1] EXTREMELY COMPACT FORMULAS FOR MOLECULAR 2-CENTER ONE-ELECTRON INTEGRALS AND COULOMB INTEGRALS OVER SLATER-TYPE ATOMIC ORBITALS
FILTER, E
STEINBORN, EO
PHYSICAL REVIEW A, 1978, 18 (01): : 1 - 11
[2] 2-CENTER OVERLAP INTEGRALS INVOLVING MIXED SLATER-GAUSSIAN ORBITALS
LO, BWN
CABLE, RJR
CARLSEN, NR
CHEMICAL PHYSICS LETTERS, 1974, 26 (02) : 252 - 255
[3] 2-CENTER HYBRID INTEGRALS BETWEEN SLATER-TYPE ATOMIC ORBITALS
CHRISTOF.RE
RUEDENBE.K
JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (05): : 1855 - &
[4] 2-CENTER EXCHANGE INTEGRALS BETWEEN SLATER-TYPE ATOMIC ORBITALS
MEHLER, EL
RUEDENBERG, K
JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (06): : 2575 - +
[5] EVALUATION OF 2-CENTER MOLECULAR INTEGRALS INVOLVING ONE-ELECTRON GREENS FUNCTIONS
BLAKEMORE, M
EVANS, GA
HYSLOP, J
THEORETICA CHIMICA ACTA, 1975, 38 (04): : 311 - 326
[6] GENERAL EXPRESSIONS FOR REDUCING THE SLATER-KOSTER LINEAR COMBINATION OF ATOMIC ORBITALS INTEGRALS TO THE 2-CENTER APPROXIMATION
SHARMA, RR
PHYSICAL REVIEW B, 1979, 19 (06): : 2813 - 2823
[7] CALCULATION OF 2-CENTER ONE-ELECTRON MOLECULAR INTEGRALS WITH STOS
RICO, JF
LOPEZ, R
PANIAGUA, M
RAMIREZ, G
COMPUTER PHYSICS COMMUNICATIONS, 1991, 64 (02) : 329 - 342
[8] ANALYTICAL EVALUATION OF ONE-CENTER AND 2-CENTER COULOMB AND 2-CENTER HYBRID INTEGRALS FOR SLATER-TYPE ORBITALS
GUSEINOV, II
JOURNAL OF CHEMICAL PHYSICS, 1977, 67 (08): : 3837 - 3839
[9] ANALYTICAL EVALUATION OF ONE-CENTER AND 2-CENTER COULOMB AND 2-CENTER HYBRID INTEGRALS FOR SLATER-TYPE ORBITALS .2.
GUSEINOV, II
JOURNAL OF CHEMICAL PHYSICS, 1989, 90 (06): : 3196 - 3197
[10] COMPARISON OF ABINITIO METHODS FOR CALCULATING 2-CENTER 2-ELECTRON INTEGRALS IN A SLATER BASIS
PEREVOZCHIKOV, VI
NIUKKANEN, AV
MASLOV, IV
ZELENTSOV, DY
KELMAN, VE
JOURNAL OF STRUCTURAL CHEMISTRY, 1991, 32 (06) : 914 - 919

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