Continuous-time quantum Monte Carlo impurity solvers

被引:48
|
作者
Gull, Emanuel [1 ]
Werner, Philipp [2 ]
Fuchs, Sebastian [3 ]
Surer, Brigitte [2 ]
Pruschke, Thomas [3 ]
Troyer, Matthias [2 ]
机构
[1] Columbia Univ, New York, NY 10027 USA
[2] ETH, CH-8093 Zurich, Switzerland
[3] Univ Gottingen, Gottingen, Germany
基金
瑞士国家科学基金会;
关键词
Impurity problems; Impurity solvers; DMFT; CT-QMC; CT-HYB; CT-INT; OPEN-SOURCE SOFTWARE; CORRELATED FERMIONS; HUBBARD-MODEL; LATTICE;
D O I
10.1016/j.cpc.2010.12.050
中图分类号
TP39 [计算机的应用];
学科分类号
081203 ; 0835 ;
摘要
Continuous-time quantum Monte Carlo impurity solvers are algorithms that sample the partition function of an impurity model using diagrammatic Monte Carlo techniques. The present paper describes codes that implement the interaction expansion algorithm originally developed by Rubtsov, Savkin, and Lichtenstein, as well as the hybridization expansion method developed by Werner, Millis, Troyer, et al. These impurity solvers are part of the ALPS-DMFT application package and are accompanied by an implementation of dynamical mean-field self-consistency equations for (single orbital single site) dynamical mean-field problems with arbitrary densities of states. Program summary Program title: dmft Catalogue identifier: AEIL_v1_0 Program summary URL: http://cpc.cs.qub.ac.uk/summaries/AEIL_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: ALPS LIBRARY LICENSE version 1.1 No. of lines in distributed program, including test data, etc.: 899 806 No. of bytes in distributed program, including test data, etc.: 32 153 916 Distribution format: tar.gz 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++ (xIC 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 Classification: 7.3 External routines: ALPS [1], BLAS/LAPACK, HDF5 Nature of problem: (See 121.) 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 [2]. Additional comments: Use of dmft requires citation of this paper. Use of any ALPS program requires citation of the ALPS [1] paper. Running time: 60 s-8 h per iteration. (C) 2011 Elsevier B.V. All rights reserved.
引用
收藏
页码:1078 / 1082
页数:5
相关论文
共 50 条
  • [1] Continuous-Time Quantum Impurity Solvers
    Gull, Emanuel
    Werner, Philipp
    Millis, Andrew
    Troyer, Matthias
    [J]. COMPUTER SIMULATIONS STUDIES IN CONDENSED MATTER PHYSICS XXI - PROCEEDINGS OF THE 21ST WORKSHOP, 2010, 6 : 31 - 34
  • [2] Continuous-time Monte Carlo methods for quantum impurity models
    Gull, Emanuel
    Millis, Andrew J.
    Lichtenstein, Alexander I.
    Rubtsov, Alexey N.
    Troyer, Matthias
    Werner, Philipp
    [J]. REVIEWS OF MODERN PHYSICS, 2011, 83 (02) : 349 - 404
  • [3] Continuous-time auxiliary-field Monte Carlo for quantum impurity models
    Gull, E.
    Werner, P.
    Parcollet, O.
    Troyer, M.
    [J]. EPL, 2008, 82 (05)
  • [4] Performance analysis of continuous-time solvers for quantum impurity models
    Gull, Emanuel
    Werner, Philipp
    Millis, Andrew
    Troyer, Matthias
    [J]. PHYSICAL REVIEW B, 2007, 76 (23):
  • [5] Quantum impurity in a Tomonaga-Luttinger liquid: Continuous-time quantum Monte Carlo approach
    Hattori, K.
    Rosch, A.
    [J]. PHYSICAL REVIEW B, 2014, 90 (11):
  • [6] iQIST: An open source continuous-time quantum Monte Carlo impurity solver toolkit
    Huang, Li
    Wang, Yilin
    Meng, Zi Yang
    Du, Liang
    Werner, Philipp
    Dai, Xi
    [J]. COMPUTER PHYSICS COMMUNICATIONS, 2015, 195 : 140 - 160
  • [7] TRIQS/CTHYB: A continuous-time quantum Monte Carlo hybridisation expansion solver for quantum impurity problems
    Seth, Priyanka
    Krivenko, Igor
    Ferrero, Michel
    Parcollet, Olivier
    [J]. COMPUTER PHYSICS COMMUNICATIONS, 2016, 200 : 274 - 284
  • [8] Continuous-time quantum Monte Carlo method for fermions
    Rubtsov, AN
    Savkin, VV
    Lichtenstein, AI
    [J]. PHYSICAL REVIEW B, 2005, 72 (03)
  • [9] Continuous-Time Quantum Monte Carlo Approach for Impurity Anderson Models with Phonon-Assisted Hybridizations
    Hattori, Kazumasa
    [J]. JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 2013, 82 (06)
  • [10] CT-X: An efficient continuous-time quantum Monte Carlo impurity solver in the Kondo regime
    Yue, Changming
    Wang, Yilin
    Otsuki, Junya
    Dai, Xi
    [J]. COMPUTER PHYSICS COMMUNICATIONS, 2019, 236 : 135 - 152