Stewart J Clark and Philip P Rushton 2004 J. Phys.: Condens. Matter 16 4833 doi:10.1088/0953-8984/16/28/006
Stewart J Clark and Philip P Rushton
Show affiliationsThe nonlocal weighted density approximation (WDA) is compared with the local density approximation (LDA) and generalized gradient approximation (GGA) for a broad range of inhomogeneous electron gas densities that are confined in three dimensions (uniform confinement) and along just one dimension (non-uniform confinement), using a model external potential. All three functionals display similar properties in the uniformly confined case; however LDA and GGA energies diverge with respect to the WDA in the non-uniform strongly confined case. This is caused by the strong anisotropy in the XC hole, demonstrated by the WDA.
71.10.Ca Electron gas, Fermi gas
71.15.Mb Density functional theory, local density approximation, gradient and other corrections
Issue 28 (21 July 2004)
Received 11 March 2004
Published 2 July 2004
Stewart J Clark and Philip P Rushton 2004 J. Phys.: Condens. Matter 16 4833
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