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cond-mat.mtrl-sci2001★ 2.2k cited
Maximally-localized Wannier functions for entangled energy bands
Ivo Souza, Nicola Marzari, David Vanderbilt
We present a method for obtaining well-localized Wannier-like functions (WFs) for energy bands that are attached to or mixed with other bands. The present scheme removes the limita…
cond-mat.mtrl-sci2001★ 182 cited
Exponential decay properties of Wannier functions and related quantities
Lixin He, David Vanderbilt
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 powe…