Semiclassical Nonadiabatic Molecular Dynamics Using Linearized Pair-Density Functional Theory

Full Citation

M. R. Hennefarth, D. G. Truhlar, and L. Gagliardi, Semiclassical Nonadiabatic Molecular Dynamics Using Linearized Pair-Density Functional Theory, J. Chem. Theory Comput., 2024, 20, 8741–8748. DOI: 10.1021/acs.jctc.4c01061