Singlet-triplet energy gap of multiresonant molecular systems: A double hybrid time-dependent density functional theory study
Masakazu Kondo
Topics & Concepts
Time-dependent density functional theoryDensity functional theorySinglet statePhysicsExcitationMolecular physicsQuantum mechanicsExcited statePhotochemistry and Electron Transfer StudiesSpectroscopy and Quantum Chemical StudiesAdvanced Chemical Physics Studies