The use of electron-atom scattering phase shifts in conduction-band calculations: Application to solid argon
- 28 June 1976
- journal article
- Published by IOP Publishing in Journal of Physics C: Solid State Physics
- Vol. 9 (12) , 2313-2317
- https://doi.org/10.1088/0022-3719/9/12/014
Abstract
Investigates the possibility of using phase shifts calculated for electron-atom scattering in performing a band-structure calculation in the solid. No explicit determination of the atomic potential is needed in the augmented plane wave method, because matrix elements can be directly related to the phase shifts. Conduction bands have been calculated for solid argon, and a comparison with other existing calculations is made.Keywords
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