Abstract

The Shankland-Koelling-Wood Fourier interpolation scheme is altered by a more physical choice of roughness function. Examples are presented demonstrating the improvement in the resulting band-structure plots; a more critical application is to the computation of the transport properties of crystalline solids which require second derivatives of the electronic energy bands.

Keywords

Interpolation (computer graphics)Fourier transformComputationFunction (biology)Fourier analysisEnergy (signal processing)Mathematical analysisMaterials sciencePhysicsMathematicsClassical mechanicsAlgorithmQuantum mechanicsMotion (physics)

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Publication Info

Year
1988
Type
article
Volume
38
Issue
4
Pages
2721-2726
Citations
101
Access
Closed

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Cite This

Warren E. Pickett, Henry Krakauer, Philip B. Allen (1988). Smooth Fourier interpolation of periodic functions. Physical review. B, Condensed matter , 38 (4) , 2721-2726. https://doi.org/10.1103/physrevb.38.2721

Identifiers

DOI
10.1103/physrevb.38.2721