Orthogonalized Plane Wave Method
- 15 February 1955
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 97 (4), 933-936
- https://doi.org/10.1103/physrev.97.933
Abstract
Difficulties in application of the orthogonalized plane wave method of determining energy levels in solids may arise under two conditions: If (1) the potential around an atom in the crystal is appreciably different from that of a free atom; or if (2) the wave function for a valence electron state is orthogonal by reasons of symmetry to all core states. Ways of treating these problems are discussed, and applied to two eigenvalues in iron.Keywords
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