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Inner and outer radial density functions in correlated two-electron systems

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posted on 2023-06-09, 01:34 authored by Andrew W King, Luke C Rhodes, Hazel CoxHazel Cox
A 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.

History

Publication status

  • Published

File Version

  • Published version

Journal

Physical Review A

ISSN

1050-2947

Publisher

American Physical Society

Volume

93

Page range

022509

Department affiliated with

  • Chemistry Publications

Full text available

  • Yes

Peer reviewed?

  • Yes

Legacy Posted Date

2016-06-07

First Open Access (FOA) Date

2016-06-07

First Compliant Deposit (FCD) Date

2016-06-07

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