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Multipolar polarizabilities and two- and three-body dispersion coefficients for alkali isoelectronic sequences
126
Citations
56
References
1997
Year
Three-body Dispersion CoefficientsEngineeringValence ElectronComputational ChemistryChemistryDispersionElectronic StructureSpectra-structure CorrelationMultipolar Matrix ElementsElectron DensityMultipolar PolarizabilitiesPhysicsQuantum ChemistryMolecular ChemistryAb-initio MethodNatural SciencesLow Order QuantitiesApplied PhysicsAlkali Isoelectronic SequencesMany-body Problem
Using simple wave functions based on the asymptotic behavior and on the binding energies of the valence electron, we have evaluated multipolar matrix elements. They allow us to obtain polarizabilities up to α12 of Li, Na, K, Rb, Cs, Be+, Mg+, Ca+, Sr+, Ba+, and dispersion coefficients of homonuclear and heteronuclear interactions from c6 to c24. Comparisons with previously determined low order quantities show that this approach is capable of yielding quite useful values for these quantities.
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