Extended Lagrangian Born–Oppenheimer molecular dynamics: from density functional theory to charge relaxation models
Crossref DOI link: https://doi.org/10.1140/epjb/s10051-021-00151-6
Published Online: 2021-08-11
Published Print: 2021-08
Update policy: https://doi.org/10.1007/springer_crossmark_policy
Niklasson, Anders M. N.
Funding for this research was provided by:
Basic Energy Sciences (LANLE8AN/KC0301061)
Text and Data Mining valid from 2021-08-01
Version of Record valid from 2021-08-01
Article History
Received: 31 March 2021
Accepted: 5 July 2021
First Online: 11 August 2021