Exponential decay properties of Wannier functions and related quantities |
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Authors: | He L Vanderbilt D |
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Affiliation: | Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08855-0849, USA. |
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Abstract: | The spatial decay properties of Wannier functions and related quantities have been investigated using analytical and numerical methods. We find that the form of the decay is a power law times an exponential, with a particular power-law exponent that is universal for each kind of quantity. In one dimension we find an exponent of -3/4 for Wannier functions, -1/2 for the density matrix and for energy matrix elements, and -1/2 or -3/2 for different constructions of nonorthonormal Wannier-like functions. |
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