Hybrid functionals for large periodic systems in an all-electron, numeric atom-centered basis framework

出版年份 2015 全文链接

标题

作者

关键词

Density-functional theory, Exact exchange, Hartree–Fock approximation, Hybrid functionals, Numeric atomic orbitals, All-electron, Linear scaling

出版物

Volume 192, Issue -, Pages 60-69

出版商

Elsevier BV

发表日期

2015-03-03

DOI

10.1016/j.cpc.2015.02.021

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