Grassmann Extrapolation of Density Matrices for Born-Oppenheimer Molecular Dynamics

Polack, Étienne; Dusson, Geneviève; Stamm, Benjamin; Lipparini, Filippo (Corresponding author)

Washington, DC : American Chemical Society (2021)
Journal Article

In: Journal of chemical theory and computation : JCTC
Page(s)/Article-Nr.: A-I