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Coulomb approximation, momentum density

Kohn-Sham orbitals (18)), Vn is the external, nuclear potential, and p is the electronic momentum operator. Hence, the first integral represents the kinetic and potential energy of a model system with the same density but without electron-electron interaction. The second term is the classical Coulomb interaction of the electron density with itself. Exc> the exchange-correlation (XC) energy, and ENR are functionals of the density. The exact functional form for Exc is unknown it is defined through equation 1 (79), and some suitable approximation has to be chosen in any practical application of... [Pg.102]

See other pages where Coulomb approximation, momentum density is mentioned: [Pg.67]    [Pg.326]    [Pg.182]    [Pg.422]    [Pg.166]    [Pg.153]    [Pg.337]    [Pg.30]    [Pg.58]    [Pg.264]    [Pg.304]    [Pg.219]    [Pg.189]   


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Density approximate

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