Electron correlations in the ground state of silicon
- 15 March 1989
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 39 (8) , 5156-5164
- https://doi.org/10.1103/physrevb.39.5156
Abstract
Ab initio correlations calculations for the ground state and for the binding energy of silicon are presented. As a starting point we use a self-consistent-field ground state as determined within the local-density approximation. Electron correlations are treated by applying the local ansatz. As in the case of diamond the important correlations are predominantly short ranged. They are similar to the ones in small molecules with Si-Si bonds. The contribution of electron correlations to the binding energy is of the order of 25%. The accuracy of the present approach is discussed. A comparison with the results of the local-density approximation is provided.Keywords
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