Dear F Tran,

Thank you for your suggestion.

I found another one

It could be interesting, ja, ja (spanish accent)

I have not read them yet



De: Wien <> en nombre de <>
Enviado: martes, 25 de octubre de 2016 02:25:25 a. m.
Para: A Mailing list for WIEN2k users
Asunto: Re: [Wien] Hartree-Fock and the Hubbard Model


all these methods are somehow based on the Hartree-Fock method,
which is (partially) free of self-interaction error.
The SIE with LDA/GGA is particularly large for localized d or f
electrons, such that LDA/GGA don't work well with these systems.

The onsite LDA+U and onsite hybrid are by far much cheaper than
the full hybrids.

This is a good paper to read:

F. Tran

On Tuesday 2016-10-25 02:09, delamora wrote:

>Date: Tue, 25 Oct 2016 02:09:24
>From: delamora <>
>Reply-To: A Mailing list for WIEN2k users <>
>To: A Mailing list for WIEN2k users <>
>Subject: [Wien] Hartree-Fock and the Hubbard Model
>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
>2) 4.5.8 Unscreened and screened hybrid functionals
>          Pablo de la Mora
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