Study of the nonlocality in the Animalu transition-metal model potentials
- 15 August 1977
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 16 (4) , 1735-1740
- https://doi.org/10.1103/physrevb.16.1735
Abstract
Numerical calculations have been made to estimate the nonlocality in the recently formulated transition-metal model potential (TMMP) by Animalu, and these have been checked against other model potentials. The overall results indicate that the contributions of the electrons tend to make the TMMP more nonlocal than simple-metal model potential. The present conclusions are in agreement with other theoretical calculations of lattice dynamics and phonon spectra.
Keywords
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