All-electron triple zeta basis sets for ZORA calculations: Application in studies of atoms and molecules
A. Canal Neto, I. B. Ferreira, F.E. Jorge, A.Z. de Oliveira
Topics & Concepts
Basis setAtomic physicsHamiltonian (control theory)DipoleIonization energyChemistryIonizationElectronMoleculeValence (chemistry)Electronic correlationAtoms in moleculesTriple bondDissociation (chemistry)PhysicsQuantum mechanicsIonPhysical chemistryMathematicsPolymer chemistryMathematical optimizationDouble bondAdvanced Chemical Physics StudiesInorganic Fluorides and Related CompoundsAtomic and Molecular Physics