PRIMARY AND SECONDARY BASIS SET SUPERPOSITION ERROR AT THE SCF AND MP2 LEVELS - H3N--LI+ AND H2O--LI+

被引：95

作者：

LATAJKA, Z ^{[1
]}

SCHEINER, S ^{[1
]}

机构：

[1] SO ILLINOIS UNIV,DEPT CHEM & BIOCHEM,CARBONDALE,IL 62901

来源：

JOURNAL OF CHEMICAL PHYSICS | 1987年 / 87卷 / 02期

关键词：

D O I：

10.1063/1.453299

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：1194 / 1204

页数：11

共 70 条

[1] ARROYO ST, 1986, J MOL STRUCT THEOCHE, V136, P99
[2] ELECTRON-DENSITY SUPERPOSITION ERRORS IN ETHYNYLLITHIUM
BACHRACH, SM
STREITWIESER, A
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (08) : 2283 - 2287
[3] AN SCF-CI STUDY OF THE WATER DIMER POTENTIAL SURFACE AND THE EFFECTS OF INCLUDING THE CORRELATION-ENERGY, THE BASIS SET SUPERPOSITION ERROR AND THE DAVIDSON CORRECTION
BAUM, JO
FINNEY, JL
[J]. MOLECULAR PHYSICS, 1985, 55 (05) : 1097 - 1108
[4] THE EFFECT OF BOND FUNCTIONS ON DISSOCIATION-ENERGIES
BAUSCHLICHER, CW
[J]. CHEMICAL PHYSICS LETTERS, 1985, 122 (06) : 572 - 576
[5] VIBRATION-ROTATION BANDS OF AMMONIA .2. THE MOLECULAR DIMENSIONS AND HARMONIC FREQUENCIES OF AMMONIA AND DEUTERATED AMMONIA
BENEDICT, WS
PLYLER, EK
[J]. CANADIAN JOURNAL OF PHYSICS, 1957, 35 (10) : 1235 - 1241
[6] MOLLER-PLESSET THEORY FOR ATOMIC GROUND-STATE ENERGIES
BINKLEY, JS
POPLE, JA
[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1975, 9 (02) : 229 - 236
[7] 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 - &
[8] BASIS SET EFFECTS IN SCF CALCULATIONS OF INTERACTION ENERGY BETWEEN CLOSED-SHELL ATOMS
BULSKI, M
CHALASINSKI, G
[J]. THEORETICA CHIMICA ACTA, 1977, 44 (04): : 399 - 404
[9] PERTURBATION CALCULATIONS OF THE NONADDITIVITY OF THE EXCHANGE DISPERSION ENERGY FOR THE BE-3 SYSTEM
BULSKI, M
CHALASINSKI, G
[J]. CHEMICAL PHYSICS LETTERS, 1986, 128 (01) : 25 - 30
[10] THE (H-2)2 POTENTIAL SURFACE AND THE INTERACTION BETWEEN HYDROGEN MOLECULES AT LOW-TEMPERATURES
BURTON, PG
SENFF, UE
[J]. JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (12) : 6073 - 6087

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