fcdmft.gw.pbc.gw_gf module

PBC gamma-point spin-restricted G0W0 Greens function This implementation has N^4 scaling, and is faster than GW-CD (N^4) and analytic GW (N^6) methods. GW-AC is recommended for valence states only, and is inaccurate for core states.

Method:

T. Zhu and G.K.-L. Chan, J. Chem. Theory. Comput. 17, 727-741 (2021) Compute self-energy on imaginary frequency with density fitting, then analytically continued to real frequency

Other useful references:

J. Chem. Theory Comput. 12, 3623-3635 (2016) New J. Phys. 14, 053020 (2012)