@misc{indiciae80fcb86cef19, title = {Density-Matrix Based Extended Lagrangian Born–Oppenheimer Molecular Dynamics}, author = {Niklasson, Anders Mauritz N.}, year = {2020}, doi = {10.1021/acs.jctc.0c00264}, url = {https://www.osti.gov/biblio/1843167}, note = {Source identifier: 1843167} }