Local-density-functional model for atoms in momentum space

Pathak, Rajeev K. ; Panat, Padmakar V. ; Gadre, Shridhar R. (1982) Local-density-functional model for atoms in momentum space Physical Review A, 26 (6). pp. 3073-3077. ISSN 1050-2947

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Official URL: http://pra.aps.org/abstract/PRA/v26/i6/p3073_1

Related URL: http://dx.doi.org/10.1103/PhysRevA.26.3073


A local-density-functional model in momentum space enabling direct calculations of electron momentum densities for atomic systems is presented. This is based on the coordinate-space local-density-functional model of Parr et al. in conjunction with quasiclassical phase-space considerations. Within the model, electron-electron interaction and nuclear-electron attraction energies turn out to be simple local functionals of momentum density while kinetic energy has been treated exactly. The momentum densities obtained through this model have a simple algebraic form. Numerical investigations employing these densities reveal that reasonable estimates of various pn expectation values as compared to their Hartree-Fock counterparts can be obtained.

Item Type:Article
Source:Copyright of this article belongs to American Physical Society.
ID Code:10434
Deposited On:03 Nov 2010 11:56
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