LONG-RANGE INTERMOLECULAR FORCES USING GAUSSIAN BASIS FUNCTIONS - A MODEL CALCULATION

被引:14
作者
SINGH, TR
MEATH, WJ
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D O I
10.1063/1.1674949
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 ;
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页码:1137 / &
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共 32 条
[1]   QUANTUM THEORY OF STRUCTURE AND DYNAMICS [J].
ALLEN, LC .
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1969, 20 :315-+
[2]   ELECTRONIC WAVE FUNCTIONS .1. A GENERAL METHOD OF CALCULATION FOR THE STATIONARY STATES OF ANY MOLECULAR SYSTEM [J].
BOYS, SF .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1950, 200 (1063) :542-554
[3]   ENERGY OF INTERACTION BETWEEN 2 HYDROGEN ATOMS USING GAUSSIAN-TYPE FUNCTIONS [J].
BRENNER, SL ;
KONOWALO.DD .
JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (03) :1301-&
[4]   QUANTUM-MECHANICAL INTEGRALS OVER GAUSSIAN ATOMIC ORBITALS [J].
BROWNE, JC ;
POSHUSTA, RD .
JOURNAL OF CHEMICAL PHYSICS, 1962, 36 (07) :1933-&
[5]  
CATLOW CW, 1970, J PHYS B, V3, P833
[6]  
Coulson C. A., 1941, P ROY SOC EDINB A, V61, P20, DOI 10.1017/s0080454100006038
[7]   SOME REMARKS ON USE OF VARIATIONAL PRINCIPLE FOR SECOND-ORDER ENERGY [J].
EPSTEIN, JH ;
EPSTEIN, ST .
JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (10) :3630-&
[8]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .I. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS [J].
HEHRE, WJ ;
STEWART, RF ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (06) :2657-+
[9]  
HEHRE WJ, 1968, S FARADAY SOC, V2, P15
[10]  
Hirschfelder J. O., 1967, ADV CHEM PHYS, V12, P3