Scaling exchange and correlation in the on-top density functional of multiconfiguration pair-density functional theory: effect on electronic excitation energies and bond energies

Presti, D., Kadlec, J., Truhlar, D. G., Gagliardi, L. Scaling exchange and correlation in the on-top density functional of multiconfiguration pair-density functional theory: effect on electronic excitation energies and bond energies. Theoretical Chemistry Accounts. 2020, 139(2), 30. ISSN 1432-881X. E-ISSN 1432-2234. Dostupné z: doi: 10.1007/s00214-019-2539-6.