Dipole oscillator strength distributions with improved high-energybehavior: Dipole sum rules and dispersion coefficients for Ne, Ar, Kr,and Xe revisited

摘要

The construction of the dipole oscillator strength distribution (DOSD) from theoretical andexperimental photoabsorption cross sections combined with constraints provided by the Kuhn-Reiche-Thomas sum rule and molar refractivity data is a well-established technique that has beensuccessfully applied to more than 50 species. Such DOSDs are insufficiently accurate at largephoton energies. A novel iterative procedure is developed that rectifies this deficiency by using thehigh-energy asymptotic behavior of the dipole oscillator strength density as an additional constraint.Pilot applications are made for the neon, argon, krypton, and xenon atoms. The resulting DOSDsimprove the agreement of the predicted S_2andS_1sum rules withab initiocalculations whilepreserving the accuracy of the remainder of the moments. Our DOSDs exploit new and moreaccurate experimental data. Improved estimates of dipole properties for these four atoms and ofdipole-dipole C_6and triple-dipoleC_9dispersion coefficients for the interactions among them arereported.