Low rank approximation in \(G_0W_0\) calculations

DOI10.1007/s11425-016-0296-xzbMath1354.82026arXiv1605.02141MaRDI QIDQ341328

Chao Yang, Fang Liu, Lin Lin, MeiYue Shao, Felipe H. Da Jornada, Jack Deslippe, Steven G. Louie

Publication date: 16 November 2016

Published in: Science China. Mathematics (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1605.02141

zbMATH Keywords

density functional theory; low-rank approximation; \(G_0W_0\) approximation; contour deformation; Sternheimer equation

Mathematics Subject Classification ID

65F20: Numerical solutions to overdetermined systems, pseudoinverses

81V70: Many-body theory; quantum Hall effect

82D20: Statistical mechanics of solids

35B20: Perturbations in context of PDEs

81V55: Molecular physics

65N80: Fundamental solutions, Green's function methods, etc. for boundary value problems involving PDEs

35Q82: PDEs in connection with statistical mechanics

Uses Software

• KSSOLV
• BerkeleyGW
• lobpcg.m