[QE-developers] turboEELS related question
Moldabekov, Zhandos (FWU-D)
z.moldabekov at hzdr.de
Wed Mar 26 10:38:50 CET 2025
Dear turboEELS developers,
My name is Zhandos Moldabekov. I work in a theoretical group
investigating warm dense matter at the Helmholtz-Zentrum Dresden-Rossendorf.
I used turboEELS to compute the dynamic structure factor of electrons in
warm dense matter (dense plasmas) [ arXiv:2502.04921 ]. I conducted a
few tests comparing the results of turboEELS with those from "standard"
LR-TDDFT and quantum Monte Carlo methods. The performance and accuracy
of turboEELS are exceptionally good. Currently, turboEELS is the primary
code I use for analyzing X-ray Thomson scattering (XRTS) of hot dense
matter.
I have a technical question regarding the variable "approximation." In
the turboEELS paper published in Computer Physics Communications (2015),
it states that for the GGA functional, the Time-Dependent Generalized
Gradient Approximation is used.
Does this imply that adiabatic GGA exchange-correlation kernel is
computed as described in Phys. Rev. B 99, 035151 (2019)?
Or one does not need an XC kernel in the Liouville-Lanczos method; thus,
turboEELS uses only the XC potential?
I would appreciate your feedback.
Best,
Zhandos
More information about the developers
mailing list