Screened exchange

GW, Bethe-Salpeter …

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horsfielda
Posts: 7
Joined: Mon Apr 05, 2010 5:20 pm

Screened exchange

Post by horsfielda » Fri Jun 17, 2011 3:10 pm

I would like to see how well straightforward screened exchange works (i.e. Hartree-Fock with 1/r replaced with exdp(-k r)/r).

abinit will do screened exchange with gwcaltyp = 26. I assume this uses local approximations to correct the screened exchange. Can anyone confirm (or deny) this?

If it does include them, is there any way to switch them off?
Andrew Horsfield
Department of Materials
Imperial College London

bruneval
Posts: 40
Joined: Mon Aug 17, 2009 11:38 am

Re: Screened exchange

Post by bruneval » Fri Jul 08, 2011 12:06 pm

No no, it is the real screened exchange.
It uses the calculated ab initio screening epsilon^-1.
You can take a look at my old PRB (Bruneval, Vast & Reining) to get some extra explanations.
Cheers,

Fabien

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