Interrelationships between the effective for the H3 radical
1977; Elsevier BV; Volume: 46; Issue: 2 Linguagem: Inglês
10.1016/0009-2614(77)85282-2
ISSN1873-4448
AutoresK. Yamaguchi, Yasunori Yoshioka, Takayuki Fueno,
Tópico(s)Organic Light-Emitting Diodes Research
ResumoThe extended Hartree—Fock wavefunction of the H3 radical is constructed by the spin-optimized (SO) SCF procedure using the Hartree—Fock magnetically ordered set. Interrelationships among the Heisenberg model, the Hartree—Fock method and the extended Hartree—Fock method are investigated on the basis of group-theoretical considerations.
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