Numerical integration for ab initio many-electron self energy calculations within the GW approximation

DOI10.1016/j.jcp.2015.01.023zbMath1351.78065arXiv1402.5433OpenAlexW2138779929MaRDI QIDQ729104

Jack Deslippe, Sahar Sharifzadeh, Johannes Lischner, Lin Lin, Fang Liu, Chao Yang, Jeffrey B. Neaton, Steven G. Louie, Alexander F. Kemper, Derek Vigil-Fowler, Felipe H. Da Jornada

Publication date: 20 December 2016

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1402.5433

zbMATH Keywords

numerical integrationconvolutiontrapezoidal rulecohsexDyson's equationgwprincipal value integrationself energyxcor

Mathematics Subject Classification ID

Motion of charged particles (78A35) Numerical integration (65D30)

Related Items

Low rank approximation in \(G_0W_0\) calculations, Reproducibility in \(G_0 W_0\) calculations for solids, KSSOLV 2.0: an efficient Matlab toolbox for solving the Kohn-Sham equations with plane-wave basis set, Numerical integration for ab initio many-electron self energy calculations within the GW approximation

Uses Software

• Quantum Espresso
• KSSOLV
• BerkeleyGW

Cites Work

• Numerical integration for ab initio many-electron self energy calculations within the GW approximation
• KSSOLV—a MATLAB toolbox for solving the Kohn-Sham equations
• Updating the Inverse of a Matrix
• A Collective Description of Electron Interactions: III. Coulomb Interactions in a Degenerate Electron Gas
• Correlation Energy of an Electron Gas at High Density