Implementation of an all-electron GW approximation based on the projector augmented wave method without plasmon pole approximation: Application to Si, SiC, AlAs, InAs, NaH, and KH
By Sébastien Lebègue, B. Arnaud, M. Alouani, P. Bloechl. 2003
160 citations recorded by the source corpus.
An implementation of the GW approximation (GWA) based on the all-electron projector-augmented-wave (PAW) method is presented, where the screened Coulomb interaction is computed within the random-phase approximation (RPA) instead of the plasmon-pole model. Two different ways of computing the self-energy are reported. The method is used successfully to determine the quasiparticle energies of six semiconducting or insulating materials: Si, SiC, AlAs, InAs, NaH, and KH. To illustrate the method the real and imaginary part of the frequency-dependent self-energy together with the spectral function of silicon are computed. Finally, the GWA results are compared with other calculations, highlighting that all-electron GWA results can differ markedly from those based on pseudopotential approaches.
Subfields: Condensed Matter Physics, Electrical and Electronic Engineering
View Paper: https://www.semanticscholar.org/paper/80fe0a7a78f325c0ac3a02d064e94bd8466a4db0
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In Electrical and Electronic Engineering
Citations in the corpus
- The GW approximation: content, successes and limitations (2018, background): “(59) guarantees the fact that t0 tends to t from above.”