Questions tagged [gw-bse]

Questions about the GW approximation or the Bethe-Salpeter Equation (BSE).

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9
votes
1answer
138 views

Is there a software that has implemented forces of BSE calculations for solids?

I'd like to investigate the structural relaxations of the excited state for periodic systems. It seems BSE is a practical method that has already been implemented in many codes for static calculations....
9
votes
1answer
101 views

What's the meaning of absorbance in the GW-BSE method?

Q1: As shown in the previous figure, what's the physical meaning of absorbance (y-axis) in the absorption spectrum calculated with the GW-BSE method? Q2: Here the absorbance for the absorption onset $...
16
votes
1answer
162 views

What methods are available for excited state calculations in solids?

In the spirit of a succint answer (3 paragraphs maximum) to create a useful resource, what are the types of excited state calculation available for solids? Please add to the list: Quasiparticle ...
20
votes
3answers
876 views

Given that Kohn-Sham DFT is strictly a ground-state method (at 0 K), how is it sufficient to describe materials in real-life applications?

Kohn-Sham DFT appears to be so popular even though it is strictly a ground-state method - all calculations are done at 0 K. How then, is it so popular when describing materials that have real-life ...
14
votes
1answer
107 views

Can GW-BSE quasiparticle calculations only be run on norm-conserving pseudopotentials (NCPPs)? If so, why not?

I've read in some texts that GW-BSE quasiparticle calculations have only been implemented on Norm-conserving Pseudopotentials (and not Ultra-soft or PAW PPs). Is there a conceptual reason for this? I ...