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Dyson pole strengths

E Ag for D2h molecules and X B2, A A], B B2, C Bi, D Ai and E Ai for gallaborane. Pole strengths near 0.9 for the first five ionization energies in each molecule indicate that the Koopmans description of the final states is qualitatively valid. Only for the E states is there significant multiconfigurational character. Each of the Dyson orbitals for these ionization energies is dominated by a single, canonical, Hartree-Fock orbital. [Pg.130]


See other pages where Dyson pole strengths is mentioned: [Pg.284]    [Pg.284]    [Pg.80]    [Pg.134]    [Pg.156]    [Pg.6]    [Pg.291]    [Pg.89]    [Pg.97]    [Pg.98]    [Pg.118]    [Pg.121]    [Pg.124]    [Pg.125]    [Pg.130]    [Pg.95]    [Pg.126]   
See also in sourсe #XX -- [ Pg.284 ]




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