Computer Physics Communications Program LibraryPrograms in Physics & Physical Chemistry |

[Licence| Download | New Version Template] aeud_v1_0.tar.gz(25 Kbytes) | ||
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Manuscript Title: CPMC-Lab: A Matlab Package for Constrained Path Monte Carlo Calculations | ||

Authors: Huy Nguyen, Hao Shi, Jie Xu, Shiwei Zhang | ||

Program title: CPMC-Lab | ||

Catalogue identifier: AEUD_v1_0Distribution format: tar.gz | ||

Journal reference: Comput. Phys. Commun. 185(2014)3344 | ||

Programming language: Matlab. | ||

Computer: The non-interactive scripts can be executed on any computer capable of
running Matlab with all Matlab versions. The GUI requires Matlab R2010b (version 7.11)
and above. | ||

Operating system: Windows, Mac OS X, Linux. | ||

RAM: Variable. | ||

Keywords: Quantum Monte Carlo, Auxiliary Field Quantum Monte Carlo (AFQMC), Constrained Path Monte Carlo (CPMC), sign problem, Hubbard model, pedagogical software. | ||

PACS: 71.10.Fd, 02.70.Ss. | ||

Classification: 7.3. | ||

External routines: Matlab | ||

Nature of problem:Obtaining ground state energy of a repulsive Hubbard model in a supercell in any number of dimensions. | ||

Solution method:In the Constrained Path Monte Carlo (CPMC) method, the ground state of a many-fermion system is projected from an initial trial wave function by a branching random walk in an overcomplete basis of Slater determinants. Constraining the determinants according to a trial wave function |Ψ _{T} 〉 removes the
exponential decay of the signal-to-noise ratio characteristic of the sign problem. The
method is exact if |Ψ_{T} 〉 is exact. | ||

Unusual features:Direct and interactive environment with a Graphical User Interface for beginners to learn and study the Constrained Path Monte Carlo method with minimal overhead for setup. | ||

Running time:The sample provided takes a few seconds to run, the batch sample a few minutes. |

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