2016_PRA_inner_outer.pdf (276.17 kB)
Inner and outer radial density functions in correlated two-electron systems
journal contribution
posted on 2023-06-09, 01:34 authored by Andrew W King, Luke C Rhodes, Hazel CoxHazel CoxA method is presented for determining inner and outer one-electron radial density functions for two electron systems by partitioning the fully correlated two-electron radial density function. This is applied to the helium isolectronic series (Z=1 to 10 and 100) and the critical nuclear charge system, which has the minimum charge for which the atomic system has at least one bound state, to separate out the motions of the two electrons in both weakly and strongly correlated systems. It is found that the inner electron experiences an anti-shielding effect due to the perturbation by the other electron which increases with increasing Z. For the weakly bound systems the inner radial density distribution closely resembles that of a hydrogenic atom with the outer radial density distribution becoming very diffuse.
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Publication status
- Published
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- Published version
Journal
Physical Review AISSN
1050-2947Publisher
American Physical SocietyExternal DOI
Volume
93Page range
022509Department affiliated with
- Chemistry Publications
Full text available
- Yes
Peer reviewed?
- Yes
Legacy Posted Date
2016-06-07First Open Access (FOA) Date
2016-06-07First Compliant Deposit (FCD) Date
2016-06-07Usage metrics
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