Publication | Closed Access
Soft-Sphere Model for Closed-Shell Atoms and Ions
170
Citations
17
References
1968
Year
EngineeringPhysicsHardness ParametersApproximate Additivity RulesNatural SciencesApplied PhysicsUltracold AtomAtomic PhysicsPhysical ChemistryComputational ChemistryQuantum ChemistrySoft-sphere ModelAlkali Halide MonomersAb-initio MethodIon StructureMany-body Problem
Using recent spectroscopic data for the alkali halide monomers, it is shown that approximate additivity rules of the form Rij = Ri + Rj and ρij = ρi + ρj hold for the radii and hardness parameters in the Born–Mayer repulsive potential, Uij(R) = fρijexp[(Rij − R) / ρij].
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