[Wien] transition probabilities

Ramkumar Thapa r.k.thapa at gmail.com
Thu Jun 30 04:42:09 CEST 2011


Thanks a lot Prof. Peter, this was our problem also.
R.K.Thapa
India
============

On Thu, Jun 30, 2011 at 5:54 AM, Peter Blaha
<pblaha at theochem.tuwien.ac.at>wrote:

> Whithin the core-valence spectroscopies and the XSPEC package, the energy
> dependent radial transition matrix elements are given in case.m1 and
> case.m2. They can even be plotted by the plotting interface in w2web.
> (In addition the trnasition probability depends on the local partial-DOS
> and some angular factors (constants for certain l,l' character), which you
> can find in the code or in some of the early papers on XES quoted in the
> UG.
>
> Am 27.06.2011 20:53, schrieb grad at famaf.unc.edu.ar:
> >
> > Dear Wien users,
> >
> > We have the possibilities to measure different kind of atomic parameter
> > using Synchrotron Radiation, then we are interested to compare these
> data
> > with WIEN2k calculations. This atomic parameters would be atom
> > fluorescence cross sections, fluorescence yield production, radiative
> > vacancy transfer probabilities.
> >
> > I have been using XSPEC and TELNES.2 to calculate spectra with and
> without
> > core hole, but I can't extract the transition probability to the
> different
> > states for instance in the case of XES, where we need the probabilities
> of
> > transtition from an l-like  valence state  to a core hole state. I would
> > like to know how I can find that information in the outputs or if I
> should
> > run and other program.
> > We will very grateful if we can get this information.
>
>
>
>                                       P.Blaha
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
> Email: blaha at theochem.tuwien.ac.at    WWW:
> http://info.tuwien.ac.at/theochem/
> --------------------------------------------------------------------------
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