Canonical-ensemble extended Lagrangian Born–Oppenheimer molecular dynamics for the linear scaling density functional theory

标题
Canonical-ensemble extended Lagrangian Born–Oppenheimer molecular dynamics for the linear scaling density functional theory
作者
关键词
-
出版物
JOURNAL OF PHYSICS-CONDENSED MATTER
Volume 29, Issue 40, Pages 405901
出版商
IOP Publishing
发表日期
2017-07-20
DOI
10.1088/1361-648x/aa810d

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