[Wien] Hartree-Fock and the Hubbard Model

[Alessandro Fortunelli]

no it's Coulomb repulsion (diagonal)

Al


delamora <delamora at unam.mx> ha scritto:

> Dear WIEN2k community,
>
> From what I understand the Hubbard Model is to calculate the  
> electronic repulsion inside the orbitals, specially in the 3d and 4f.
>
> Is it an approximation for the Hartree Fock exchange?
>
> If this is the case then it can be better calculated exact-exchange  
> functionals (1, 2)
>
> 1) 4.5.7 Onsite-exact-exchange and hybrid functionals for correlated  
> electrons
>
> 2) 4.5.8 Unscreened and screened hybrid functionals
>
> Cheers
>
>           Pablo de la Mora




---------------------------------------------------------

Alessandro Fortunelli
CNR-ICCOM, via G. Moruzzi, 1
56124 - Pisa - Italy
e-mail: alessandro.fortunelli at cnr.it
tel. +39-050-3152447
fax  +39-050-3152442
cel. +39-349-2987108
Home-page:  http://www.researchgate.net/profile/Alessandro_Fortunelli/