EFFECTIVE BASIS-SETS FOR CALCULATIONS OF EXCHANGE-REPULSION ENERGY

被引：72

作者：

GUTOWSKI, M ^{[1
]}

CHALASINSKI, G ^{[1
]}

VANDUIJNEVELDTVANDERIJDT, J ^{[1
]}

机构：

[1] STATE UNIV UTRECHT, THEORET CHEM GRP, UTRECHT, NETHERLANDS

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1984年 / 26卷 / 06期

关键词：

D O I：

10.1002/qua.560260602

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：971 / 982

页数：12

相关论文

共 36 条

[1] INTERMOLECULAR FORCES IN SIMPLE SYSTEMS
AHLRICHS, R
PENCO, R
SCOLES, G
[J]. CHEMICAL PHYSICS, 1977, 19 (02) : 119 - 130
[2] DOUBLE PERTURBATION-THEORY AND SYMMETRY
AMOS, AT
YOFFE, JA
[J]. CHEMICAL PHYSICS LETTERS, 1975, 31 (01) : 53 - 56
[3] A VARIATIONAL PRINCIPLE FOR THE HEITLER-LONDON INTERMOLECULAR INTERACTION ENERGY
AMOS, AT
VANDENBERGHE, CS
[J]. MOLECULAR PHYSICS, 1982, 47 (04) : 897 - 911
[4] CALCULATION OF SMALL MOLECULAR INTERACTIONS BY DIFFERENCES OF SEPARATE TOTAL ENERGIES - SOME PROCEDURES WITH REDUCED ERRORS
BOYS, SF
BERNARDI, F
[J]. MOLECULAR PHYSICS, 1970, 19 (04) : 553 - &
[5] MANY-ORBITAL CLUSTER EXPANSION FOR THE EXCHANGE-REPULSION ENERGY IN THE INTERACTION OF CLOSED-SHELL SYSTEMS - NEON-NEON INTERACTION
BULSKI, M
CHALASINSKI, G
JEZIORSKI, B
[J]. THEORETICA CHIMICA ACTA, 1979, 52 (02): : 93 - 101
[6] Claverie P., 1978, INTERMOLECULAR INTER, P69
[7] AB INITIO COMPUTATIONS IN ATOMS AND MOLECULES
CLEMENTI, E
[J]. IBM JOURNAL OF RESEARCH AND DEVELOPMENT, 1965, 9 (01) : 2 - &
[8] EXCHANGE ENERGY BETWEEN NEON ATOMS
CONWAY, A
MURRELL, JN
[J]. MOLECULAR PHYSICS, 1974, 27 (04) : 873 - 878
[9] DEPENDENCE OF EXCHANGE AND COULOMB ENERGIES ON WAVE-FUNCTIONS OF INTERACTING SYSTEMS
CONWAY, A
MURRELL, JN
[J]. MOLECULAR PHYSICS, 1972, 23 (06) : 1143 - &
[10] A VARIATION PRINCIPLE FOR ARBITRARY OPERATORS
DELVES, LM
[J]. NUCLEAR PHYSICS, 1963, 41 (03): : 497 - &

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