Scalable implementation of polynomial filtering for density functional theory calculation in PARSEC
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Publication:6040777
DOI10.1016/j.cpc.2020.107330MaRDI QIDQ6040777
Chao Yang, James R. Chelikowsky, Kai-Hsin Liou
Publication date: 22 May 2023
Published in: Computer Physics Communications (Search for Journal in Brave)
eigenvalue problem; parallel algorithm; density functional theory; electronic structure; polynomial filtering; spectrum slicing