[Wien] dipole transition matrix element

[Kevin Jorissen]

It would be very easy to modify XSPEC or TELNES to produce the
quantity you want.

cheers,

Kevin


2011/5/6 Huolin Xin <hx35 at cornell.edu>:
> 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
>
>
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