Density Matrix Embedding Using Multiconfiguration Pair-Density Functional Theory

Full Citation

A. Mitra, M. R. Hermes, and L. Gagliardi, Density Matrix Embedding Using Multiconfiguration Pair-Density Functional Theory, J. Chem. Theory Comput., 2023, 19, 3498–3508. DOI: 10.1021/acs.jctc.3c00247