Programs in Physics & Physical Chemistry
|[Licence| Download | New Version Template] aeil_v1_0.tar.gz(31400 Kbytes)|
|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:
|RAM: 10 MB - 1 GB|
|Keywords: DMFT, CT-QMC, CT-HYB, CT-INT.|
|PACS: 71.10.Fd, 71.30.+h, 02.70.Ss, 05.10.Ln.|
External routines: ALPS , 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.
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
Use of dmft requires citation of this paper. Use of any ALPS program requires citation of the ALPS  paper.
60s - 8h per iteration.
|||A. Albuquerque, F. Alet, P. Corboz, et al., J. Magn. Magn. Mater. 310, 1187 (2007).|
|Disclaimer | ScienceDirect | CPC Journal | CPC | QUB|