Open AccessExtended Lagrangian Born–Oppenheimer molecular dynamics using a Krylov subspace approximation
Author(s) -
Anders M. N. Niklasson
Publication year - 2020
Publication title -
the journal of chemical physics
Language(s) - Uncategorized
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.5143270
Subject(s) - born–oppenheimer approximation , krylov subspace , lagrangian , subspace topology , molecular dynamics , dynamics (music) , mathematics , physics , classical mechanics , mathematical analysis , quantum mechanics , molecule , linear system , acoustics