Introducing PROFESS 3.0: An advanced program for orbital-free density functional theory molecular dynamics simulations

出版年份 2015 全文链接

标题

作者

关键词

Orbital-free density functional theory, Kinetic energy density functional, First-principles methods, Electronic structure, Molecular dynamics

出版物

Volume 190, Issue -, Pages 228-230

出版商

Elsevier BV

发表日期

2015-01-24

DOI

10.1016/j.cpc.2014.12.021

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