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High-Density Limit of Two-Electron Systems: Results from the Extended Overhauser Approach
Paola Gori-Giorgi1, Andreas Savin1
1Laboratoire de Chimie Théorique, CNRS UMR7616, Université Pierre et Marie Curie, 4 Place Jussieu, F-75252 Paris, France.
Abstract:
The "extended Overhauser model" [Overhauser, A. W. Can. J. Phys. 1995, 73, 683] for the calculation of the spherically and system-averaged pair density (APD) has been recently combined with the Kohn-Sham equations to yield realistic APD and correlation energies. In this work we test this approach in the high-density (weakly correlated) limit of the He isoelectronic series and of the Hooke's atom isoelectronic series. Unlike many of the commonly used energy functionals, the Overhauser approach yields accurate correlation energies for both series.
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