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

DOI10.1016/j.cpc.2021.108029OpenAlexW3161227551MaRDI QIDQ6156532

Nils Brouwer, Natalie Holzwarth, Vanina Recoules, 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

zbMATH Keywords

absorptiondensity functional theoryspin-orbit couplingwarm dense matterPAWXANES

Mathematics Subject Classification ID

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

Cites Work

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

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