Page 2 of 2

Re: BSE vs. HF

Posted: Thu Apr 21, 2016 9:01 am
by martinspenke
Dear Daniele,

many thanks.
Do you think that taking PPA qp energies instead of KS energies as input for a later full frequency dependent GW run is reasonable and justified ?

Bests
Martin

Re: BSE vs. HF

Posted: Thu Apr 21, 2016 10:18 am
by Daniele Varsano
Dear Martin,
I'm not sure about that.
It looks as a sort of Self consistency but it isn't. Most probably it is better to correct at first order the KS energies (with PPA or full frequency) more than calculating Green Functions and screening with qp energies, for another corrections.
Just a feeling, never tried to do that, and cannot help more. I should think more on that.

Best,

Daniele