Heat of solution of hydrogen in Al and Mg
- 15 February 1978
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 17 (4) , 1592-1595
- https://doi.org/10.1103/physrevb.17.1592
Abstract
Electron charge distibution around a proton in Al and Mg has been calculated self-consistently using the Kohn-Sham density functional formalism. The exchange-correlation potential has been treated both in the local-density approximation and including the first gradient correction. The results are used to compute the heat of solution of hydrogen in Al and Mg. Comparison has been made with earlier theoretical and experimental values.Keywords
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