Simple approach to the band-structure problem |
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Authors: | O.K. Andersen |
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Affiliation: | Electrophysics Department, Technical University, Lyngby, Denmark |
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Abstract: | An approximate first-principles method is presented for calculating the band structure of solids, especially applicable to closely-packed structures. This scheme has the advantages of being physically transparent, and computionally very fast. In its simplest form it gives energies correct to within a few per cent of the band width, and the error may be substantially reduced without much increase in complexity or computing effort. |
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