Berlin 2012 – wissenschaftliches Programm
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TT: Fachverband Tiefe Temperaturen
TT 45: Correlated Electrons: Poster Session
TT 45.13: Poster
Donnerstag, 29. März 2012, 15:00–19:00, Poster B
Numerical renormalization group calculation of total energies and specific heats of quantum impurity models — •Lukas Merker and Theo Costi — Peter Grünberg Institut (PGI-2) and Institute for Advanced Simulation (IAS-3), Forschungszentrum Jülich, 52425 Jülich, Germany
The calculation of thermodynamic properties of quantum impurity models within the numerical renormalization group method proceeds via the impurity contribution to the thermodynamic potential Ωimp=Ωtotal−Ω0, where Ωtotal, and Ω0 are the thermodynamic potentials
in the presence and absence of the impurity, respectively.
Here, we propose a method to obtain specific heats of quantum impurity models via a direct calculation of the internal energy requiring only the evaluation of local static correlation functions. We apply this scheme to the Anderson impurity model and show by direct comparison with the exact results from Bethe Ansatz [1] that it recovers accurately both the Kondo induced specific heat peak at low temperatures as well as the charge fluctuation induced peak at higher temperatures [2].
A. M. Tsvelick and P. B. Wiegmann, Phys. Lett. 89A, 368 (1982)
L. Merker and T. A. Costi, preprint (2011).