THE POLARIZATION-FUNCTION COUNTERPOISE METHOD - AN APPLICATION OF THE DIAGRAMMATIC PERTURBATION-THEORY TO THE HE-H-2 MOLECULE IN THE REGION OF THE VANDERWAALS MINIMUM

被引:18
作者
DELVALLE, FJO
TOLOSA, S
OJALVO, EA
ESPERILLA, JJ
机构
关键词
D O I
10.1063/1.450967
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:3448 / 3457
页数:10
相关论文
共 63 条
[1]   BIFURCATED VS LINEAR HYDROGEN-BOND - DIMETHYL-PHOSPHATE AND FORMATE ANION INTERACTIONS WITH WATER [J].
ALAGONA, G ;
GHIO, C ;
KOLLMAN, P .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1983, 105 (16) :5226-5230
[2]   DIFFUSION COEFFICIENTS OF SYSTEMS HE-T2 AND HE-TH [J].
AMDUR, I ;
MALINAUSKAS, AP .
JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (10) :3355-+
[3]   COMPACT CONTRACTED GAUSSIAN-TYPE BASIS-SETS FOR HALOGEN ATOMS - BASIS-SET SUPERPOSITION EFFECTS ON MOLECULAR-PROPERTIES [J].
ANDZELM, J ;
KLOBUKOWSKI, M ;
RADZIOANDZELM, E .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1984, 5 (02) :146-161
[4]   MANY-BODY PERTURBATION-THEORY AND COUPLED CLUSTER THEORY FOR ELECTRON CORRELATION IN MOLECULES [J].
BARTLETT, RJ .
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1981, 32 :359-401
[5]   CALCULATION OF SMALL MOLECULAR INTERACTIONS BY DIFFERENCES OF SEPARATE TOTAL ENERGIES - SOME PROCEDURES WITH REDUCED ERRORS [J].
BOYS, SF ;
BERNARDI, F .
MOLECULAR PHYSICS, 1970, 19 (04) :553-&
[6]   A NEW 2-BODY WATER WATER POTENTIAL [J].
CLEMENTI, E ;
HABITZ, P .
JOURNAL OF PHYSICAL CHEMISTRY, 1983, 87 (15) :2815-2820
[7]   NONADDITIVITY OF INTERACTION IN WATER TRIMERS [J].
CLEMENTI, E ;
KOLOS, W ;
LIE, GC ;
RANGHINO, G .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1980, 17 (03) :377-398
[8]  
CLEMENTI E, 1982, POK11 REP
[9]   ABINITIO CALCULATIONS OF INTERMOLECULAR POTENTIALS - THE GROUND-STATE OF THE AR-H2 VANDERWAALS MOLECULE [J].
DELVALLE, FJO ;
TOLOSA, S ;
PINEIRO, AL ;
REQUENA, A .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1985, 6 (01) :39-45
[10]   ABOUT THE OVERESTIMATION OF THE BASIS SET SUPERPOSITION ERROR ON INTERACTION ENERGY CALCULATIONS FOR VAN DER WAALS SYSTEMS [J].
DELVALLE, FJO ;
TOLOSA, S ;
ESPERILLA, JJ ;
OJALVO, EA ;
REQUENA, A .
JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (09) :5077-5080