The high-density limit of two-electron systems: Results from the extended Overhauser approach
Chemical Physics
2007-07-05 v1 Materials Science
Atomic Physics
Abstract
The ``extended Overhauser model'' [Overhauser, 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.
Keywords
Cite
@article{arxiv.physics/0702204,
title = {The high-density limit of two-electron systems: Results from the extended Overhauser approach},
author = {Paola Gori-Giorgi and Andreas Savin},
journal= {arXiv preprint arXiv:physics/0702204},
year = {2007}
}
Comments
To appear in J. Chem. Theory and Comput