Accuracy of the typicality approach using Chebyshev polynomials

Autor(en): Schlueter, Henrik
Gayk, Florian
Schmidt, Heinz-Juergen
Honecker, Andreas
Schnack, Juergen 
Stichwörter: Chebyshev expansion; Chemistry; Chemistry, Physical; Physics; Physics, Multidisciplinary; spin systems; trace estimators; typicality
Erscheinungsdatum: 2021
Herausgeber: WALTER DE GRUYTER GMBH
Journal: ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES
Volumen: 76
Ausgabe: 9
Startseite: 823
Seitenende: 834
Zusammenfassung: 
Trace estimators allow us to approximate thermodynamic equilibrium observables with astonishing accuracy. A prominent representative is the finitetemperature Lanczos method (FTLM) which relies on a Krylov space expansion of the exponential describing the Boltzmann weights. Here we report investigations of an alternative approach which employs Chebyshev polynomials. This method turns out to be also very accurate in general, but shows systematic inaccuracies at low temperatures that can be traced back to an improper behavior of the approximated density of states with and without smoothing kernel. Applications to archetypical quantum spin systems are discussed as examples.
ISSN: 09320784
DOI: 10.1515/zna-2021-0116

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