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TD-HF

Posted: Thu Dec 26, 2013 9:04 am
by sivanr
Hello,

I would like to use Yambo for TD-HF calculations (compared to TD-ALDA).
I see in the input file section at the website this option:
Time-dependent Hartree-Fock yambo -k hf
However, I did not manage to apply it in Yambo-3.3.0.
Is this option only valid at the 3.4.0 version?
Do the ground-state wavefunctions from pwscf must be calculated with HF to apply this option?

Many thanks,
Sivan Refaely-Abramson
Weizmann Institute of Science

Re: TD-HF

Posted: Thu Dec 26, 2013 10:08 am
by Daniele Varsano
Dear Sivan,
yes this in an option for the 3.4 release.
You can use on whatever ground state wavefunction, anyway doing a TD-HF using LDA eigenvalues I presume would not be reliable at all. In order to get meaningful results, you would need some approximation for the quasi particle energies, e.g. HF eigenvalues.
Best,
Daniele