[Wien] dipole transition matrix element

[Huolin Xin]

Hi Robert,

I am interested in this code as well.

On Fri, May 6, 2011 at 8:42 AM, Robert Laskowski <
rolask at theochem.tuwien.ac.at> wrote:

> Hi,
> I have a version of the optic program that can do this for s and p cores
> states.
>
> Robert
>
>
>
> On Friday 06 May 2011 14:27:31 Nikolay wrote:
> > Dear all,
> > I would like to calculate for simulation of RXES following matrix
> element:
> > <i|d|f>
> > where i is a core state, d is a dipole operator and f is a final state.
> > As far as I understand, I can calculate only square of this matrix
> element
> >
> > |<i|d|f>|^2 using TETRA and XPEC as
> > |<i|d|f>|^2 = DOS * M
> >
> > where DOS is dipole allowed density of states and M is a radial
> transition
> > probability. Is there any way to extract unsquared matrix element from
> > Wien2k simulation? Best regards,
> > Nikolay Smolentsev
> > --
> > Master student at
> > ID26, European Synchrotron Radiation Facility, Grenoble, France
> > Research Center for Nanoscale structure of Matter, Rostov-on-Don, Russia
> >
> >
> >
> > _______________________________________________
> > Wien mailing list
> > Wien at zeus.theochem.tuwien.ac.at
> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
> --
> Dr Robert Laskowski
> Vienna University of Technology, Institute of Materials Chemistry,
> Getreidemarkt 9/165-TC, A-1060 Vienna, Austria
> tel. +43 1 58801 15675               Fax  +43 1 58801 15698
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>



-- 
Huolin Xin, PhD Candidate
Muller Group
Cornell University
http://xinhuolin.web.officelive.com/default.aspx
Tel: 607-339-7656
Email: hx35 at cornell.edu
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110506/38d0ea9b/attachment.htm>