PulseExploreJournal ClubDebatesTrendingResearchersJournals
Instagram
HomeExploreJournal ClubTrending
Synapse
⌘+K
Synapse
March 3, 2010Physical Review B150 citationsOpen Access

GW method with the self-consistent Sternheimer equation

FGFeliciano GiustinoMCMarvin L. CohenSLSteven G. Louie

Key Points

Key points are not available for this paper at this time.

Abstract

We propose an approach to quasiparticle GW calculations which does not require the computation of unoccupied electronic states. In our approach the screened Coulomb interaction is evaluated by solving self-consistent linear-response Sternheimer equations and the noninteracting Green's function is evaluated by solving inhomogeneous linear systems. The frequency dependence of the screened Coulomb interaction is explicitly taken into account. In order to avoid the singularities of the screened Coulomb interaction the calculations are performed along the imaginary axis, and the results are analytically continued to the real axis through Pad\'e approximants. As a proof of concept we implemented the proposed methodology within the empirical pseudopotential formalism and we validated our implementation using silicon as a test case. We examine the advantages and limitations of our method and describe promising future directions.

Ask AI
Helpful
Bookmark
Share
View Full Paper

Cite This Study

Giustino et al. (2010) studied this question.

synapsesocial.com/papers/6a228bdf94e91643e0ddaf5ahttps://doi.org/10.1103/physrevb.81.115105
Ask AI
Helpful
Bookmark
Share
View Full Paper