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Density Functionals of Exchange Energy

Starting from the Hartree-Fock framework of exchange energy definition in terms of density matrix (Levy et al., 1996), [Pg.484]

Alternatively, by paralleling the kinetic density fimctional previous developments the gradient expansion for the exchange energy may be regarded as the density dependent series (Cedillo et al., 1988)  [Pg.485]

Quantum Nanochemistry-Volume I Quantum Theory and Observability [Pg.486]

Moreover, the as5rmptotic behavior of Fade exchange functional (4.441) leaves with the convergent limits  [Pg.487]

Another interesting approach of exchange eneigy in the gradient expansion framework was given by Bartolotti through the two-component density functional (Bartolotti, 1982)  [Pg.487]


See other pages where Density Functionals of Exchange Energy is mentioned: [Pg.358]    [Pg.484]   


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