Energy Bands for KCl
- 15 December 1971
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 4 (12) , 4639-4640
- https://doi.org/10.1103/physrevb.4.4639
Abstract
Two ab initio calculations for KCl are reported. The first is a self-consistent Hartree-Fock calculation (accurate to first order in interatomic overlap) and the second includes correlation effects due to electron-electron interaction. The results are in excellent agreement with previous ab initio calculations and with experiment.Keywords
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