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

King, Andrew W, Rhodes, Luke C and Cox, Hazel (2016) Inner and outer radial density functions in correlated two-electron systems. Physical Review A, 93. 022509. ISSN 1050-2947

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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.

Item Type: Article
Schools and Departments: School of Life Sciences > Chemistry
Depositing User: Hazel Cox
Date Deposited: 07 Jun 2016 14:19
Last Modified: 03 Jul 2019 02:19

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