INTERMOLECULAR AND INTRAMOLECULAR INTERACTIONS CALCULATED WITH ABINITIO PERTURBATIVE CONFIGURATION-INTERACTION METHOD USING STRONGLY LOCALIZED ORBITALS

被引:29
作者
OTTO, P
LADIK, J
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关键词
D O I
10.1002/qua.560220115
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:169 / 182
页数:14
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共 40 条
[1]  
BAKER G, 1970, PADE APPROXIMANT THE
[2]   FORCE CONSTANTS AND EQUILIBRIUM GEOMETRIES IN H2O2 AND OTHER SMALL MOLECULES CONTAINING AN OH GROUP [J].
BOTSCHWINA, P ;
MEYER, W ;
SEMKOW, AM .
CHEMICAL PHYSICS, 1976, 15 (01) :25-34
[3]  
Boys S. F., 1966, QUANTUM THEORY ATOMS
[4]   BARRIER TO INTERNAL ROTATION IN ETHANE [J].
CLEMENTI, E ;
DAVIS, DR .
JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (07) :2593-+
[5]   PERTURBATIVE AB-INITIO CALCULATIONS OF INTERMOLECULAR ENERGIES .1. METHOD [J].
DAUDEY, JP ;
CLAVERIE, P ;
MALRIEU, JP .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1974, 8 (01) :1-15
[6]  
DELRE G, UNPUB
[7]   THE CALCULATION OF BOND ORDERS, RESONANCE ENERGIES, AND ORBITAL ENERGIES BY A SIMPLE PERTURBATION METHOD [J].
DEWAR, MJS ;
PETTIT, R .
JOURNAL OF THE CHEMICAL SOCIETY, 1954, (MAY) :1617-1624
[8]   SCF-MO-LCGO STUDIES ON HYDROGEN BONDING - WATER DIMER [J].
DIERCKSEN, GH .
THEORETICA CHIMICA ACTA, 1971, 21 (04) :335-+
[9]   LOCALIZED BOND ORBITALS AND CORRELATION PROBLEM .3. ENERGY UP TO THIRD-ORDER IN ZERO-DIFFERENTIAL OVERLAP APPROXIMATION . APPLICATION TO SIGMA-ELECTRON SYSTEMS [J].
DINER, S ;
MALRIEU, JP ;
JORDAN, F ;
GILBERT, M .
THEORETICA CHIMICA ACTA, 1969, 15 (02) :100-&
[10]   The stark effect from the point of view of Schroedinger's quantum theory [J].
Epstein, PS .
PHYSICAL REVIEW, 1926, 28 (04) :0695-0710