On the importance of the core shift in an ab initio pseudopotential theory
- 1 September 1975
- journal article
- Published by IOP Publishing in Journal of Physics F: Metal Physics
- Vol. 5 (9) , L150-L154
- https://doi.org/10.1088/0305-4608/5/9/004
Abstract
The influence of the core shift, i.e. the change of the energy eigenvalue of the core electrons in a metal with respect to the free ion, on ab initio pseudopotential calculations is investigated for the example of phonon dispersion calculations for lithium and sodium.Keywords
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