Dipole Moment Calculations Using Multiconfiguration Pair-Density Functional Theory and Hybrid Multiconfiguration Pair-Density Functional Theory

Full Citation

A. O. Lykhin, D. G. Truhlar, and L. Gagliardi, Dipole Moment Calculations Using Multiconfiguration Pair-Density Functional Theory and Hybrid Multiconfiguration Pair-Density Functional Theory, J. Chem. Theory Comput., 2021, 17, 7586–7601. DOI: 10.1021/acs.jctc.1c00915