SIMPLE DERIVATION OF CONDITIONS FOR INSTABILITY IN THE HARTREE-FOCK AND PROJECTED HARTREE-FOCK SCHEMES

被引:39
作者
LOWDIN, PO
CALAIS, JL
CALAZANS, JM
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关键词
D O I
10.1002/qua.560200605
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:1201 / 1215
页数:15
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[11]  
CIZEK J, 1967, J CHEM PHYS, V47, P3976
[12]  
COULSON CA, 1949, PHILOS MAG, V40, P386
[13]   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
[14]   THEORY OF UNRESTRICTED HARTREE-FOCK EQUATION AND ITS SOLUTIONS .4. BEHAVIOR OF UHF SOLUTIONS IN VICINITY OF INTERCONNECTING INSTABILITY THRESHOLD [J].
FUKUTOME, H .
PROGRESS OF THEORETICAL PHYSICS, 1975, 53 (05) :1320-1336
[15]   SPIN DENSITY WAVE AND CHARGE TRANSFER WAVE IN LONG CONJUGATED MOLECULES [J].
FUKUTOME, H .
PROGRESS OF THEORETICAL PHYSICS, 1968, 40 (06) :1227-&
[16]   UNRESTRICTED HARTREE-FOCK THEORY OF CHEMICAL REACTIONS .2. DISSOCIATION REACTION OF ASYMMETRIC 2-CENTER 2-ELECTRON SYSTEM [J].
FUKUTOME, H .
PROGRESS OF THEORETICAL PHYSICS, 1973, 49 (01) :22-36
[17]   THEORY OF UNRESTRICTED HARTREE-FOCK EQUATION AND ITS SOLUTIONS .3. CLASSIFICATION OF INSTABILITIES AND INTERCONNECTION RELATION BETWEEN 8 CLASSES OF UHF SOLUTIONS [J].
FUKUTOME, H .
PROGRESS OF THEORETICAL PHYSICS, 1974, 52 (06) :1766-1783
[19]   THEORY OF UNRESTRICTED HARTREE-FOCK EQUATION AND ITS SOLUTIONS .1. [J].
FUKUTOME, H .
PROGRESS OF THEORETICAL PHYSICS, 1971, 45 (05) :1382-&
[20]   THEORY OF UNRESTRICTED HARTREE-FOCK EQUATION AND ITS SOLUTIONS .2. CLASSIFICATION AND CHARACTERIZATION OF UHF SOLUTIONS BY THEIR BEHAVIOR FOR SPIN ROTATION AND TIME-REVERSAL [J].
FUKUTOME, H .
PROGRESS OF THEORETICAL PHYSICS, 1974, 52 (01) :115-130