Concepedia

Low-Lying Electronic States of the ScF Molecule: Energies of the a3Δ, b3Π, and A1Δ States

E.A. Shenyavskaya, Amanda Ross, A. Topouzkhanian, G. Wannous

Journal of Molecular Spectroscopy · 1993 · 33 citations · 0 references

Concepts

Natural SciencesChemistryPhysicsComputational ChemistryPhysical ChemistryQuantum ChemistryAb Initio MethodsDensity Functional TheoryElectronic StructureMolecular Energy LevelsMolecular Orbital TheoryMolecular SymmetryAb Initio Potential Energy SurfacesElectronic Density Of StatesElectronic State InteractionsElectronic Structure Of MoleculesExchange-correlation FunctionalsGround State PropertiesLowest Unoccupied Molecular Orbital