Exponential Decay Properties of Wannier Functions and Related Quantities
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- 4 June 2001
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 86 (23) , 5341-5344
- https://doi.org/10.1103/physrevlett.86.5341
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 for Wannier functions, for the density matrix and for energy matrix elements, and or for different constructions of nonorthonormal Wannier-like functions.
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This publication has 22 references indexed in Scilit:
- Structural, electronic, and bonding properties of liquid water from first principlesThe Journal of Chemical Physics, 1999
- Linear scaling electronic structure methodsReviews of Modern Physics, 1999
- Water Molecule Dipole in the Gas and in the Liquid PhasePhysical Review Letters, 1999
- Locality of the Density Matrix in Metals, Semiconductors, and InsulatorsPhysical Review Letters, 1999
- Decay properties of the finite-temperature density matrix in metalsPhysical Review B, 1998
- Maximally-localized Wannier functions for disordered systems: Application to amorphous siliconSolid State Communications, 1998
- Linear scaling methods for electronic structure calculations and quantum molecular dynamics simulationsCurrent Opinion in Solid State and Materials Science, 1996
- Energy Bands and Projection Operators in a Crystal: Analytic and Asymptotic PropertiesPhysical Review B, 1964
- Analytic Properties of Bloch Waves and Wannier FunctionsPhysical Review B, 1959
- The Structure of Electronic Excitation Levels in Insulating CrystalsPhysical Review B, 1937