Programs in Physics & Physical Chemistry
|[Licence| Download | New Version Template] aeud_v1_0.tar.gz(25 Kbytes)|
|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_0|
Distribution 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.|
|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.|
External routines: Matlab
Nature of problem:
Obtaining ground state energy of a repulsive Hubbard model in a supercell in any number of dimensions.
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 |ΨT 〉 removes the exponential decay of the signal-to-noise ratio characteristic of the sign problem. The method is exact if |ΨT 〉 is exact.
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.
The sample provided takes a few seconds to run, the batch sample a few minutes.
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