WIEN2k users
*Asunto:* Re: [Wien] Hartree-Fock and the Hubbard Model
Dear Prof. Tran,
I would like to read more about this subject, but,
unfortunately, your link gave me a message like : " Wikipedia does
not have an article with this exact name. "
Please*,* cou
Cl U2
>
> Pablo
> --
> *De:* Wien <wien-boun...@zeus.theochem.tuwien.ac.at> en nombre de Luis
> Ogando <lcoda...@gmail.com>
> *Enviado:* lunes, 21 de noviembre de 2016 11:00:23 a. m.
> *Para:* A Mailing list for WIEN2k users
> *As
Dear Prof. Tran,
I would like to read more about this subject, but, unfortunately, your
link gave me a message like : " Wikipedia does not have an article with
this exact name. "
Please*,* could you suggest another non-specialist reference like
wikipedia ?
Thank you,
Luis
Hi,
DFT+U is a cheap but rather rough approximation of HF.
Beside this, there is also the difference that in DFT+U, the Coulomb
operator is attenuated in order to account for the screening due to
correlation. In HF, no correlation is included.
In hybrids, the screening is included by using only
de 2016 11:05:08 a. m.
Para: A Mailing list for WIEN2k users
Asunto: Re: [Wien] Hartree-Fock and the Hubbard Model
Este remitente no superó nuestras comprobaciones de detección de fraude y e
s posible que no sea quien parece ser. Obtenga información acerca de la sup
lantación de identidad.
Co
De: Wien <wien-boun...@zeus.theochem.tuwien.ac.at> en nombre de
t...@theochem.tuwien.ac.at <t...@theochem.tuwien.ac.at>
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
Hi,
all these methods are some
oun...@zeus.theochem.tuwien.ac.at> en nombre de
t...@theochem.tuwien.ac.at <t...@theochem.tuwien.ac.at>
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
Hi,
all these methods are somehow based on the Hartree
users <wien@zeus.theochem.tuwien.ac.at>
To: A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at>
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, s
no it's Coulomb repulsion (diagonal)
Al
delamora 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
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,
10 matches
Mail list logo