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Von Niessen localization

The von Niessen localization scheme uses the delta function of the distance between... [Pg.228]

The von Niessen localization scheme uses the S function of the distance between two electrons as the operator, and maximizes the expectation value. ... [Pg.306]

Finally, consider the two lone-pair MOs /i(0) and lz(0). These MOs are mainly localized on the oxygen atom and are equivalent to each other.They are directed away from the hydrogen atoms and project above and below the molecular (yz) plane (Fig. 15.8). The d- (yz) operation interchanges the lone-pair MOs. The angle between them is approximately 2 arctan (0.71/0.39) = 122°. The angle between localized lone-pair MOs calculated from a more accurate wave function is 114° W. von Niessen, Theor. Chim.Acta,29,29(W3). [Pg.516]

See other pages where Von Niessen localization is mentioned: [Pg.122]    [Pg.222]    [Pg.900]    [Pg.122]    [Pg.222]    [Pg.900]    [Pg.229]    [Pg.191]    [Pg.25]    [Pg.229]    [Pg.47]    [Pg.283]    [Pg.515]    [Pg.308]    [Pg.124]    [Pg.468]    [Pg.24]    [Pg.900]    [Pg.344]   
See also in sourсe #XX -- [ Pg.2 , Pg.900 ]



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Von Niessen

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