BRILLOUINS THEOREM IN ROOTHAANS OPEN-SHELL SCF METHOD

被引:64
作者
MANNE, R
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10.1080/00268977200102061
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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:935 / +
页数:1
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[2]   ORBITAL THEORIES OF ELECTRONIC STRUCTURE [J].
ADAMS, WH .
JOURNAL OF CHEMICAL PHYSICS, 1962, 37 (09) :2009-&
[3]  
BRILLOUIN L, 1933, ACTUAL SCI IND, V71, P160
[4]   BRILLOUINS THEOREM AND HELLMANN-FEYNMAN THEOREM FOR HARTREE-FOCK WAVE FUNCTIONS [J].
COULSON, CA .
MOLECULAR PHYSICS, 1971, 20 (04) :687-&
[5]   On the derivation of necessary conditions on Hartree-Fock orbitals [J].
Dahl, J. P. ;
Johansen, H. ;
Truax, D. R. ;
Ziegler, T. .
CHEMICAL PHYSICS LETTERS, 1970, 6 (02) :64-66
[6]   GROUND STATES OF CONJUGATED MOLECULES .9. HYDROCARBON RADICALS AND RADICAL IONS [J].
DEWAR, MJS ;
HASHMALL, JA ;
VENIER, CG .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1968, 90 (08) :1953-&
[7]  
DIERCKSEN G, 1968, INT J QUANTUM CHEM, V2, P55
[8]   JAHN-TELLER DISTORTION OF CH4+ [J].
DIXON, RN .
MOLECULAR PHYSICS, 1971, 20 (01) :113-&
[9]  
DIXON RN, PERSONAL COMMUNICATI
[10]   GENERALIZATION OF DEWARS HALF-ELECTRON METHOD FOR CALCULATING ENERGIES OF OPEN-SHELL ELECTRONIC STATES [J].
ELLISON, FO ;
MATHEU, FM .
CHEMICAL PHYSICS LETTERS, 1971, 10 (03) :322-&