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
This publication has 9 references indexed in Scilit:
- Self-consistent screening of a proton in jelliumJournal of Physics F: Metal Physics, 1977
- Screening of a proton in an electron gasPhysical Review B, 1976
- Theory of the heat of solution of hydrogen in Al and Mg using nonlinear screeningPhysical Review B, 1976
- Gradient Corrections in the Exchange and Correlation Energy of an Inhomogeneous Electron GasPhysical Review Letters, 1975
- Electron Correlations at Metallic Densities. VPhysical Review B, 1972
- Explicit local exchange-correlation potentialsJournal of Physics C: Solid State Physics, 1971
- Self-Consistent Equations Including Exchange and Correlation EffectsPhysical Review B, 1965
- Inhomogeneous Electron GasPhysical Review B, 1964
- XIV. The distribution of electrons round impurities in monovalent metalsJournal of Computers in Education, 1952