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Scaling in the S and P states of the helium isoelectronic sequence
Authors:Russell J Boyd
Institution:(1) Department of Chemistry, University of British Columbia, V 6 T 1 W 5 Vancouver, Canada
Abstract:Mean values of r 1 r and r r 12 for the ground and several excited states of the helium isoelectronic sequence are used to demonstrate that a simple scaling which superimposes the distribution function f(r 12) as a function of the atomic number leads to a similar result for the electron density distribution D(r1). On the basis of a screening interpretation of the scaling parameter delta, it is concluded that screening is greater in the singlet than the triplet state of a particular configuration, that screening is greater in the P states than the corresponding S states, and that the screening approaches the limiting value of 1 for the highly excited states. The perturbation expansions of Scherr and Knight are used to determine the limiting value of delta when Zrarrinfin and the relationship between the scaling parameter and the scale factor, chosen so that a trial wave function satisfies the virial theorem, is discussed. A brief discussion of the scaling of the Coulomb hole is presented.
Keywords:Atomic screening constants  Mean values of r  1 r and r  12 r in two-electron atoms  Scaling  Helium isoelectronic sequence  screening in the sim" target="_blank">gif" alt="sim" align="MIDDLE" BORDER="0">
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