Vertex function compliant with the Ward identity for quasiparticle self-consistent calculations beyond GW
(2021) Physical Review b — Vol. 103, n° 16 (2021)
Files
VertexfunctioncompliantwiththeWardidentityforquasiparticleself-consistentcalculationsbeyondGW.pdf
Open Access - Adobe PDF
- 332.42 KB
Details
- Authors
Tal, Alexey 
Pasquarello, Alfredo
- Abstract
- We extend the quasiparticle self-consistent approach beyond the GW approximation by using a range-separated vertex function. The developed approach yields band gaps, dielectric constants, and band positions with an accuracy similar to highest-level electronic-structure calculations without exceeding the cost of regular quasiparticle self-consistent GW. We introduce an exchange-correlation kernel that accounts for the vertex over the full spatial range. In the long range it complies with the Ward identity, while it is approximated through the adiabatic local density functional in the short range. In this approach, the renormalization factor is balanced and the higher-order diagrams are effectively taken into account.
- Affiliations
Citations
Tal, A., Chen, W., & Pasquarello, A. (2021). Vertex function compliant with the Ward identity for quasiparticle self-consistent calculations beyond GW. Physical Review b, 103(16). https://doi.org/10.1103/physrevb.103.l161104 (Original work published 2021)