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Discrete variational linear combinations atomic orbitals

We used the discrete variational (DV-Xa) method which uses a linear combination of atomic orbitals (LCAO) expansion of molecular orbitals to calculate electronic states of silicate clusters. In this... [Pg.235]

See other pages where Discrete variational linear combinations atomic orbitals is mentioned: [Pg.98]    [Pg.106]    [Pg.422]    [Pg.3]    [Pg.437]    [Pg.154]    [Pg.102]   
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