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Polarized EXAFS
Dear Feff,
I'm not sure whether this is a 'user' or 'developer' question,
but I'd like to extract the EXAFS (yes, E-XAFS) contribution
from the different orbitals for L_III edges, especially for
studying the polarization dependence of L-edges. I see
calculated polarization dependencies that I don't fully
understand, and want to be able to isolate the different terms.
How can I do this? Ideally, I'd like to be able to make
separate feff.dat files for l->l+1, l->l-1, cross terms, and
quadrapole contributions. I don't see anything about this in
the docs, but a recent mail from Alex:
> 3) New extension to the MULTIPOLE card, in response to a suggestion
> from Michel Jaouen
> MULTIPOLE le2 [l2lp]
> default: le2=0 (dipole only) and l2lp=0 (both l-->lp = l+/-1 channels)
> le2 = 2 adds quadrupole transitions (works only with l2lp=0)
> l2lp = +1 include only dipole l-->l+1 transitions
> l2lp = -1 include only dipole l-->l-1 transitions
Hinted that it might be possible. Unfortunately, this is a bit
cryptic for me. I think I might want each of
MULTIPOLE 0 1
MULTIPOLE 0 -1
MULTIPOLE 2 0
which, should all add together to give
MULTIPOLE 0 0
But, then again, I'm not sure: Aren't there cross terms?
Any suggestions? Thanks,
--Matt Newville