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Hermite-Gaussian auxiliary functions

A. Koster, Hermite gaussian auxiliary functions for the variational fitting of the Coulomb potential in density functional methods. J. Chem. Phys. 118, 9943-9951 (2003)... [Pg.18]

The primitive Hermite Gaussian auxiliary functions are indicated by a bar. An (unnormalized) auxiliary function k(r) centered at atom C with exponent has the form ... [Pg.579]

Integrals involving the exchange-correlation potential r,c or the exchange-correlation energy density cannot be evaluated analytically so that further sets of auxiliary functions are introduced. (In practice and 6,<, behave similarly so that a common set is used to fit both functions.) The exchange-correlation basis (XCB) also consists of Hermite Gaussians... [Pg.467]

See other pages where Hermite-Gaussian auxiliary functions is mentioned: [Pg.1089]    [Pg.205]    [Pg.206]    [Pg.582]    [Pg.1089]    [Pg.205]    [Pg.206]    [Pg.582]    [Pg.161]    [Pg.9]    [Pg.1083]    [Pg.420]    [Pg.355]   
See also in sourсe #XX -- [ Pg.1089 ]



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