RELATION OF SINANOGLUS THEORY OF EXACT PAIRS TO FIRST ITERATION, BEYOND SCF, IN SEPARATED-PAIR THEORY

被引:17
作者
EDMISTON, C
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10.1063/1.1701468
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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:2394 / &
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共 12 条
[1]   ELECTRON PAIRS IN BERYLLIUM ATOM [J].
ALLEN, TL ;
SHULL, H .
JOURNAL OF PHYSICAL CHEMISTRY, 1962, 66 (12) :2281-&
[2]   CORRELATION ENERGY FOR ATOMIC SYSTEMS [J].
CLEMENTI, E .
JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (09) :2248-&
[3]  
EDMISTON C, TO BE PUBLISHED
[4]   THE MOLECULAR ORBITAL THEORY OF CHEMICAL VALENCY .16. A THEORY OF PAIRED-ELECTRONS IN POLYATOMIC MOLECULES [J].
HURLEY, AC ;
LENNARDJONES, J ;
POPLE, JA .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1953, 220 (1143) :446-455
[5]  
KAPUY E, 1960, ACTA PHYS ACAD SCI H, V12, P351
[6]   A QUANTUM-MECHANICAL STUDY OF THE WATER MOLECULE [J].
MCWEENY, R ;
OHNO, KA .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1960, 255 (1282) :367-381
[8]   THEORY OF ELECTRONIC EXCITATION AND REORGANIZATION IN THE FORMALDEHYDE MOLECULE [J].
PARKS, JM ;
PARR, RG .
JOURNAL OF CHEMICAL PHYSICS, 1960, 32 (06) :1657-1681
[9]   THEORY OF SEPARATED ELECTRON PAIRS [J].
PARKS, JM ;
PARR, RG .
JOURNAL OF CHEMICAL PHYSICS, 1958, 28 (02) :335-345
[10]   SUPERPOSITION OF CONFIGURATIONS AND NATURAL SPIN ORBITALS - APPLICATIONS TO THE HE PROBLEM [J].
SHULL, H ;
LOWDIN, PO .
JOURNAL OF CHEMICAL PHYSICS, 1959, 30 (03) :617-626