Calculation of optical properties with spin-orbit coupling for warm dense matter

DOI10.1016/J.CPC.2021.108029OpenAlexW3161227551MaRDI QIDQ6156532FDOQ6156532

Authors: Nils Brouwer, Vanina Recoules, Natalie Holzwarth, Marc Torrent 

Publication date: 13 June 2023

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.cpc.2021.108029

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zbMATH Keywords

density functional theoryabsorptionspin-orbit couplingwarm dense matterPAWXANES

Mathematics Subject Classification ID

Statistical mechanics of metals (82D35) Orbital mechanics (70M20) Clifford algebras, spinors (15A66) Frequency-response methods in control theory (93C80) Computational density functional analysis in statistical mechanics (82M36)

Cites Work

• A projector augmented wave (PAW) code for electronic structure calculations. I: Atompaw for generating atom-centered functions
• Modern quantum mechanics
• The Boltzmann Equation in the Theory of Electrical Conduction in Metals
• Electronic Structure
• Kubo-Greenwood electrical conductivity formulation and implementation for projector augmented wave datasets

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