VANDERWAALS INTERACTION POTENTIALS - MANY-BODY BASIS SET SUPERPOSITION EFFECTS

被引：143

作者：

WELLS, BH ^{[1
]}

WILSON, S ^{[1
]}

机构：

[1] UNIV OXFORD,DEPT THEORET CHEM,OXFORD OX1 3TG,ENGLAND

来源：

CHEMICAL PHYSICS LETTERS | 1983年 / 101卷 / 4-5期

关键词：

D O I：

10.1016/0009-2614(83)87508-3

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：429 / 434

页数：6

相关论文

共 8 条

[1] 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 - &
[2] APPLICATION OF FUNCTIONAL BOYS BERNARDI COUNTERPOISE METHOD TO MOLECULAR POTENTIAL SURFACES
JOHANSSON, A
KOLLMAN, P
ROTHENBERG, S
[J]. THEORETICA CHIMICA ACTA, 1973, 29 (02): : 167 - 172
[3] POSSIBLE IMPROVEMENTS OF THE INTERACTION ENERGY CALCULATED USING MINIMAL BASIS SETS
KOLOS, W
[J]. THEORETICA CHIMICA ACTA, 1979, 51 (03): : 219 - 240
[4] QUANTUM CHEMICAL CALCULATION OF INTERMOLECULAR INTERACTION POTENTIALS, MAINLY OF VANDERWAALS TYPE
KUTZELNIGG, W
[J]. FARADAY DISCUSSIONS, 1977, 62 : 185 - 196
[5] GHOST ORBITALS AND BASIS SET EXTENSION EFFECTS
OSTLUND, NS
MERRIFIELD, DL
[J]. CHEMICAL PHYSICS LETTERS, 1976, 39 (03) : 612 - 614
[6] EFFECTIVE CONVERGENCE TO COMPLETE ORBITAL BASES AND TO THE ATOMIC HARTREE-FOCK LIMIT THROUGH SYSTEMATIC SEQUENCES OF GAUSSIAN PRIMITIVES
SCHMIDT, MW
RUEDENBERG, K
[J]. JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (10) : 3951 - 3962
[7] WELLS BH, UNPUB MOL PHYS
[8] 1976, ATMOL USER MANUALS