4.6 Article

Fourier transformation and response functions

Journal

PHYSICAL REVIEW B
Volume 82, Issue 23, Pages -

Publisher

AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.82.233104

Keywords

-

Funding

  1. FWF Lise-Meitner [M1136]
  2. Austrian Science Fund (FWF) [M1136] Funding Source: Austrian Science Fund (FWF)

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We improve on Fourier transforms (FTs) between imaginary time tau and imaginary frequency omega(n) used in certain quantum cluster approaches using the Hirsch-Fye method. The asymptotic behavior of the electron Green's function can be improved by using a sum-rule boundary condition for a spline. For response functions a two-dimensional FT of a singular function is required. We show how this can be done efficiently by splitting off a one-dimensional part containing the singularity and by performing a semianalytical FT for the remaining more innocent two-dimensional part.

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