HELIUM-ATOM-HYDROGEN-MOLECULE POTENTIAL SURFACE EMPLOYING LCAO-MO-SCF AND CI METHODS

被引:198
作者
GORDON, MD
SECREST, D
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关键词
D O I
10.1063/1.1672656
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:120 / &
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[1]   DIFFUSION COEFFICIENTS OF SYSTEMS HE-T2 AND HE-TH [J].
AMDUR, I ;
MALINAUSKAS, AP .
JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (10) :3355-+
[2]   THE EVALUATION OF INTEGRALS OCCURRING IN THE THEORY OF MOLECULAR STRUCTURE .1.2. [J].
BARNETT, MP ;
COULSON, CA .
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1951, 243 (864) :221-249
[3]  
BARNETT MP, 1963, METHODS COMPUTATIONA, V2
[4]  
CHRISTOFFERSEN RE, 1963, THESIS INDIANA U
[5]  
Coulson C. A., 1960, VALENCE
[6]   NON-EMPIRICAL LCAO-MO-SCF-CI CALCULATIONS ON ORGANIC MOLECULES WITH GAUSSIAN TYPE FUNCTIONS .I. INTRODUCTORY REVIEW AND MATHEMATICAL FORMALISM [J].
CSIZMADI.IG ;
HARRISON, MC ;
MOSKOWIT.JW ;
SUTCLIFF.BT .
THEORETICA CHIMICA ACTA, 1966, 6 (03) :191-&
[7]  
CSIZMADIA IG, POLYATOM
[8]  
Gaunt J. A., 1928, T ROY SOC LOND, V228, P195
[9]   SINGLE-CONFIGURATION WAVEFUNCTIONS AND POTENTIAL CURVES FOR GROUND STATES OF HE2 NE2 AND AR2 [J].
GILBERT, TL ;
WAHL, AC .
JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (09) :3425-&
[10]  
GORDON MD, 1969, THESIS U ILLINOIS