2018/12/10 by Martin Schlipf, Schlipf, Martin, Henry Lambert +5 · 1 citation
Chemistry · Engineering · Materials Science · #Acoustic Wave Resonator Technologies #FOS: Physical sciences #Ga2O3 and related materials #Inorganic Fluorides and Related Compounds #Materials Science (cond-mat.mtrl-sci)
paper · pdf · doi:10.48550/arxiv.1812.03717
openalex publication_date 2018/12/10 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
The SternheimerGW software uses time-dependent density-functional\nperturbation theory to evaluate GW quasiparticle band structures and spectral\nfunctions for solids. Both the Green's function G and the screened Coulomb\ninteraction W are obtained by solving linear Sternheimer equations, thus\novercoming the need for a summation over unoccupied states. The code targets\nthe calculation of accurate spectral properties by convoluting G and W using a\nfull frequency integration. The linear response approach allows users to\nevaluate the spectral function at arbitrary electron wavevectors, which is\nparticularly useful for indirect band gap semiconductors and for simulations of\nangle-resolved photoelectron spectra. The software is parallelized efficiently,\nintegrates with version 6.3 of Quantum Espresso, and is continuously monitored\nfor stability using a test farm.\n