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Overlap integrals and excitation energies calculations in trivalent lanthanides 4f orbitals in pairs Ln-L (L = Ln, N, O, F, P, S, Cl, Se, Br, and I)

Albano N. Carneiro Neto, Renaldo T. Moura

2020Chemical Physics Letters37 citationsDOI

Topics & Concepts

LanthanideChemistryAtomic orbitalPolarizabilityExcitationAtomic physicsDiatomic moleculeElectronegativityOrbital overlapBasis setPhysical chemistryMolecular orbitalComputational chemistryIonPhysicsMoleculeElectronDensity functional theoryQuantum mechanicsOrganic chemistryLuminescence Properties of Advanced MaterialsAdvanced Chemical Physics StudiesLanthanide and Transition Metal Complexes
Overlap integrals and excitation energies calculations in trivalent lanthanides 4f orbitals in pairs Ln-L (L = Ln, N, O, F, P, S, Cl, Se, Br, and I) | Litcius