[Wien] XPS/UPS

[Ponniah Ravindran]

Hello,

	You can get some information about the procedure to calculate
XPS and UPS(BIS) spectra from the following reference

http://folk.uio.no/ravi/paper/lamno3.pdf
http://folk.uio.no/ravi/paper/CaRuO3.pdf

Best regards
Ravi


On Fri, 10 Oct 2003, Peter Blaha wrote:

> > intensity], I want to compare my reslut by LSDA+SO+SIC method with this
> > XPS, the questions are the followings:
> >
> >     1.Can we directly compare the total density of states of the unit cell
> > with the XPS? Someone has commented that the relative  strength of XPS
> > features should in general be different   from those of  the density of
> > states, as the latter does not include the  shell-dependent  cross
> > sections.
> >  This may in agreement with the userguide about  the XSPEC, which tell us
> > that theoretical X-ray spectra are generated using the partial densities of
> > states (in case.dos1ev)and multiplying them with the corresponding dipole
> > matrix elements. Can we relate the dipole matrix elements with the
> > shell-dependent cross section?
>
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Dr.P.Ravindran, Associate Professor    |
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