Resolution of Ambiguity in Derivation of Pseudopotentials from Phase Shifts
- 20 September 1971
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 27 (12), 811-813
- https://doi.org/10.1103/PhysRevLett.27.811
Abstract
In fitting electronic band structures of solids by means of scattering phase shifts, the level of the "muffin-tin" potential can be chosen at will relative to the Fermi level. Different choices correspond to distinct ways of expressing the total valence-electron density as a sum of atomic contributions.Keywords
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