MRSF-TDDFT misses some singly-excited configurations and yields unreliable excited-state energies with discontinuities when its triplet reference abruptly changes electronic character.
Assessment of density functional theory for describing the correlation effects on the ground and excited state potential energy surfaces of a retinal chromophore model
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
physics.chem-ph 1years
2026 1verdicts
UNVERDICTED 1representative citing papers
citing papers explorer
-
Limitations of MRSF-TDDFT for Applications in Photochemistry
MRSF-TDDFT misses some singly-excited configurations and yields unreliable excited-state energies with discontinuities when its triplet reference abruptly changes electronic character.