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Comparison of Simple VB AND LCAO Treatments

It is instructive to compare the simple LCAO and VB (valence bond) treatments, and especially to enquire why the LCAO treatment fails so disastrously at large R. It is easily shown that the LCAO wavefunction can be written [Pg.97]

See other pages where Comparison of Simple VB AND LCAO Treatments is mentioned: [Pg.97]    [Pg.97]    [Pg.234]    [Pg.97]    [Pg.97]    [Pg.234]   


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LCAO

LCAOs

Simple comparisons

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