The Journal of Chemical Physics · 1976 · 18 citations · 3 references
Natural SciencesChemistryPhysicsComputational ChemistryPhysical ChemistryTheoretical ChemistryAb Initio MethodsAtomistic ModelingDensity Functional TheoryInteratomic PotentialsMolecular Orbital TheoryAb Initio Molecular CalculationsAb Initio Potential Energy SurfacesInteratomic Potential ModelsQuantum Chemical Modeling
Model potentials to be used with double-zeta Slater-type basis sets are reported for Li through Ne, and also for Vanadium.
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Roothaan-Hartree-Fock atomic wavefunctions
E. Clementi, C. Roetti · Atomic Data and Nuclear Data Tables · 1974 · 5.5K citations