Physically interpretable approximations of many-body spectral functions.

Abstract

The rational function approximation provides a natural and interpretable representation of response functions such as the many-body spectral functions. We apply the vector fitting (VFIT) algorithm to fit a variety of spectral functions calculated from the Holstein model of electron-phonon interactions. We show that the resulting rational functions are highly efficient in their fitting of sharp features in the spectral functions, and could provide a means to infer physically relevant information from a spectral data set. The position of the peaks in the approximated spectral function are determined by the location of poles in the complex plane. In addition, we developed a variant of VFIT that incorporates regularization to improve the quality of fits. With this procedure, we demonstrate it is possible to achieve accurate spectral function fits that vary smoothly as a function of physical conditions.