[Wien] strongly correlated electron systems

soran nabavi soran.nabavi at gmail.com
Mon Feb 26 09:58:27 CET 2007


Dear Ricardo Faccio
With many thanks for your guidance;
but in LDA+U approximation method, the system is considered only with its
potential energy(exchange energy) but in strongly correlated electron system
the competition between two models of energy(kinetic and potential) is
occurred.
In section 4.5.6 this problem is been solved but with any references!
Could you send me the references for this issue?
best regards

Message: 22
> Date: Tue, 20 Feb 2007 16:28:02 +0330
> From: "soran nabavi" <soran.nabavi at gmail.com>
> Subject: [Wien] strong correlated electron
> To: "wien at zeus.theochem.tuwien.ac.at"
>        <wien at zeus.theochem.tuwien.ac.at>
> Message-ID:
>        <137e4d610702200458o222f32fcoa520ad31ba77f480 at mail.gmail.com>
> Content-Type: text/plain; charset=ISO-8859-1; format=flowed
>
> Dear users
> I have question for using the Wien2k code
> how we can use this code for "Highly correlated electron systems"?
> Is it possible?
> best regards
>
>
> ------------------------------
>
> Message: 23
> Date: Tue, 20 Feb 2007 11:31:23 -0300
> From: "Ricardo Faccio" <rfaccio at fq.edu.uy>
> Subject: Re: [Wien] strong correlated electron
> To: "A Mailing list for WIEN2k users"
>        <wien at zeus.theochem.tuwien.ac.at>
> Message-ID: <000c01c754fb$cf4b1fc0$074228c8 at RICARDOF>
> Content-Type: text/plain; format=flowed; charset="iso-8859-1";
>        reply-type=original
>
> Dear Soran
>    Wien works with the LDA+U scheme, for studying strong correlated
> electrons. Please read the section 4.5.6 of the user guide for more
details,
> there is described how to use the orbital potentials (in particular the
-orb
> options).
>    Good luck
> Ricardo
>
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