[gpaw-users] get_eels_spectrum() - does this give the full "interacting" response function?

[Trevor Hardcastle]

Hello all,

I'd like to check that I properly understand what equations are actually being solved, and what steps are being taken analytically, when I command GPAW! to do the following:

from gpaw.response.df import DielectricFunction
df = DielectricFunction(calc='gs-diagonalised.gpw')
df.get_eels_spectrum(xc='RPA')

Does  get_eels_spectrum() use the Dyson series expression to go beyond the Adler-Wiser formula for "chi0" and calculate the full "interacting" density response function "chi" using TDDFT? That is, does it follow the procedure summarised in equations (4) - (12) of Jan et al. PRB 83, 245122 (2011)?  http://journals.aps.org/prb/abstract/10.1103/PhysRevB.83.245122

Many thanks,

Trevor

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Dr. Trevor P. Hardcastle
EPSRC Doctoral Prize Fellow
Room B20.C
Engineering Building
Institute for Materials Research
University of Leeds
LS2 9JT, United Kingdom
t.p.hardcastle at leeds.ac.uk<mailto:t.p.hardcastle at leeds.ac.uk>
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