Exponential decay properties of Wannier functions and related quantities

Preprint

1 February 2001

preprint
Published by arXiv in arXiv

https://doi.org/10.48550/arXiv.cond-mat/0102016

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 non-orthonormal Wannier-like functions.

Keywords

PROPERTIES OF WANNIER
RELATED QUANTITIES
WANNIER FUNCTIONS
NUMERICAL METHODS
DECAY PROPERTIES
SPATIAL DECAY
ENERGY MATRIX

All Related Versions

Version 1, 2001-02-01, ArXiv
Published version: Physical Review Letters, 86 (23), 5341.

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