Extended Lagrangian Born–Oppenheimer molecular dynamics for orbital-free density-functional theory and polarizable charge equilibration models

Title
Extended Lagrangian Born–Oppenheimer molecular dynamics for orbital-free density-functional theory and polarizable charge equilibration models
Authors
Keywords
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Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 154, Issue 5, Pages 054101
Publisher
AIP Publishing
Online
2021-02-01
DOI
10.1063/5.0038190

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