Scalable implementation of polynomial filtering for density functional theory calculation in PARSEC

出版年份 2020 全文链接

标题

作者

关键词

Parallel algorithm, Electronic structure, Density functional theory, Eigenvalue problem, Polynomial filtering, Spectrum slicing

出版物

Volume 254, Issue -, Pages 107330

出版商

Elsevier BV

发表日期

2020-04-28

DOI

10.1016/j.cpc.2020.107330

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