NEAR-HARTREE-FOCK CALCULATIONS OF FORCE CONSTANTS AND DIPOLE-MOMENT DERIVATIVES IN METHANE

被引:151
作者
MEYER, W
PULAY, P
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10.1063/1.1677506
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O64 [物理化学(理论化学)、化学物理学];
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070304 ; 081704 ;
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页码:2109 / &
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共 38 条
[1]   CALCULATION OF ELECTRONIC PROPERTIES OF BH4-, CH4 AND NH4+ USING 1-CENTRE SELF-CONSISTENT FIELD WAVE FUNCTIONS [J].
ALBASINY, EL ;
COOPER, JRA .
PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON, 1963, 82 (526) :289-&
[2]  
ALLAVENA M, 1965, CAH PHYS, V182, P401
[3]   MEAN AND EQUILIBRIUM MOLECULAR STRUCTURES OF METHANE AND DEUTEROMETHANE AS DETERMINED BY ELECTRON DIFFRACTION [J].
BARTELL, LS ;
KUCHITSU, K ;
DENEUI, RJ .
JOURNAL OF CHEMICAL PHYSICS, 1961, 35 (04) :1211-&
[4]   IMPROVED ONE-CENTRE WAVE FUNCTIONS FOR THE HYDROGEN AND METHANE MOLECULES [J].
BISHOP, DM .
MOLECULAR PHYSICS, 1963, 6 (03) :305-315
[5]   AB-INITIO CALCULATIONS OF HARMONIC FORCE CONSTANTS .4. COMPARISON OF DIFFERENT METHODS [J].
BISHOP, DM ;
MACIAS, A .
JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (09) :3515-&
[6]  
BISHOP DM, 1966, J CHEM PHYS, V44, P2280
[7]   ELECTRONIC STRUCTURE OF DIATOMIC MOLECULES .6A. HARTREE-FOCK WAVEFUNCTIONS AND ENERGY QUANTITIES FOR GROUND STATES OF FIRST-ROW HYDRIDES AH [J].
CADE, PE ;
HUO, WM .
JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (02) :614-&
[8]  
COULSON CA, 1947, VICTOR HENRI MEMORIA, P15
[9]  
COULSON CA, 1947, VICTOR HENRI MEMORIA, P33
[10]  
Decius J. C., 1955, MOLECULAR VIBRATIONS