Fully-relativistic full-potential multiple scattering theory: a pathology-free scheme

DOI10.1016/j.cpc.2017.10.011arXiv1701.05292OpenAlexW2765984076MaRDI QIDQ6155131

Markus Eisenbach, Xiang-Lin Liu, G. Malcolm Stocks, Y. Wang

Publication date: 9 June 2023

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

Full work available at URL: https://arxiv.org/abs/1701.05292

zbMATH Keywords

Dirac equationGreen functionfull-potentialmultiple scattering theoryKKR methodpole-searching

Mathematics Subject Classification ID

Quantum theory (81-XX) Statistical mechanics, structure of matter (82-XX)

Cites Work

• GPU acceleration of the locally selfconsistent multiple scattering code for first principles calculation of the ground state and statistical physics of materials
• Solution of the Schrödinger Equation in Periodic Lattices with an Application to Metallic Lithium

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