Density Matrix Embedding Pair-Density Functional Theory for Molecules

Full Citation

S. Verma, M. R. Hermes, and L. Gagliardi, Density Matrix Embedding Pair-Density Functional Theory for Molecules, J. Phys. Chem. Lett., 2025, 16, 5348–5357. DOI: 10.1021/acs.jpclett.5c00829