Numerical analysis of multiple scattering theory for electronic structure calculations

DOI10.1093/IMANUM/DRAC040arXiv2111.07272OpenAlexW3213238339MaRDI QIDQ6171584

Xingyu Gao, Huajie Chen, Xiaoxu Li

Publication date: 14 August 2023

Published in: IMA Journal of Numerical Analysis (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/2111.07272

zbMATH Keywords

convergence analysiselectronic structure calculationsmultiple scattering theoryKKR secular equation

Mathematics Subject Classification ID

Numerical methods for partial differential equations, boundary value problems (65Nxx)

This page was built for publication: Numerical analysis of multiple scattering theory for electronic structure calculations