Mali, S. J. ; Singru, R. M. ; Singh, V. A. ; Kanhere, D. G. (1988) Calculation of electronic properties of some solids using the non-local density approximation Journal of Physics F: Metal Physics, 18 (9). L201-L205. ISSN 0305-4608
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Official URL: http://iopscience.iop.org/0305-4608/18/9/006?fromS...
Related URL: http://dx.doi.org/10.1088/0305-4608/18/9/006
Abstract
The fully self-consistent implementation of the non-local density functional as suggested by Langreth and Mehl (see Phys. Rev. B, vol.28, p.1809, 1983) has been used in conjunction with the atom-in-jellium model to calculate some electronic properties of metallic Li Be, Mg and Al and solid Si. It is found that the non-local density approximation of Langreth and Mehl, when compared with the local density approximation, shows an improvement in the orbital eigenvalues and total energies.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Institute of Physics Publishing. |
| ID Code: | 16034 |
| Deposited On: | 16 Nov 2010 13:31 |
| Last Modified: | 03 Jun 2011 08:32 |
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