Approximate pseudopotential calculation of the Z1center in alkali halides
- 27 November 1981
- journal article
- Published by IOP Publishing in Journal of Physics C: Solid State Physics
- Vol. 14 (33) , 5055-5061
- https://doi.org/10.1088/0022-3719/14/33/014
Abstract
The approximate pseudopotential given by Bartram, Stoneham and Gah (1968) has been used in calculating the Z1 centre absorption energy and absorption energy splitting. The results show that the ten-parameter trial wavefunctions give absorption energies that are in good agreement with experimental data. The theoretical results also enable the authors to explain the small absorption energy splitting.Keywords
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