Ab initiopseudopotential description of cohesion in NaCl
- 15 August 1982
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 26 (4), 2314-2316
- https://doi.org/10.1103/physrevb.26.2314
Abstract
We present the first ab initio pseudopotential calculation of the cohesive properties of NaCl. The theoretical results for the equilibrium lattice constant and the bulk modulus are in good agreement with experiment. Our physical picture of cohesion is contrasted to that of widely used models.Keywords
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