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Manuscript Title: Continuous-Time Quantum Monte Carlo Impurity Solvers
Authors: Emanuel Gull, Philipp Werner, Sebastian Fuchs, Brigitte Surer, Thomas Pruschke, Matthias Troyer
Program title: dmft
Catalogue identifier: AEIL_v1_0
Distribution format: tar.gz
Journal reference: Comput. Phys. Commun. 182(2011)1078
Programming language: C++.
Operating system: The ALPS libraries have been tested on the following platforms and compilers:
  • Linux with GNU Compiler Collection (g++ version 3.1 and higher), and Intel C++ Compiler (icc version 7.0 and higher)
  • MacOS X with GNU compiler (g++ Apple-version 3.1, 3.3 and 4.0)
  • IBM AIX with Visual Age C++ (xlC version 6.0) and GNU (g++ version 3.1 and higher) compilers
  • Compaq Tru64 UNIX with Compq C++ Compiler (cxx)
  • SGI IRIX with MIPSpro C++ Compiler (CC)
  • HP-UX with HP C++ Compiler (aCC)
  • Windows with Cygwin or coLinux platforms and GNU Compiler Collection (g++ version 3.1 and higher
RAM: 10 MB - 1 GB
PACS: 71.10.Fd, 71.30.+h, 02.70.Ss, 05.10.Ln.
Classification: 7.3.

External routines: ALPS [1], BLAS/LAPACK, HDF5

Nature of problem:
(see http://arxiv.org/abs/1012.4474, Rev. Mod. Phys. in press).
Quantum impurity models describe an atom or molecule embedded in a host material with which it can exchange electrons. They are basic to nanoscience as representations of quantum dots and molecular conductors and play an increasingly important role in the theory of "correlated electron" materials as auxiliary problems whose solution gives the "dynamical mean field" approximation to the self energy and local correlation functions.

Solution method:
Quantum impurity models require a method of solution which provides access to both high and low energy scales and is effective for wide classes of physically realistic models. The continuous-time quantum Monte Carlo algorithms for which we present implementations here meet this challenge. Continuous-time quantum impurity methods are based on partition function expansions of quantum impurity models that are stochastically sampled to all orders using diagrammatic quantum Monte Carlo techniques.
For a review of quantum impurity models and their applications and of continuous-time quantum Monte Carlo methods for impurity models we refer the reader to http://arxiv.org/abs/1012.4474

Additional comments:
Use of dmft requires citation of this paper. Use of any ALPS program requires citation of the ALPS [1] paper.

Running time:
60s - 8h per iteration.

[1] A. Albuquerque, F. Alet, P. Corboz, et al., J. Magn. Magn. Mater. 310, 1187 (2007).