CPMC-Lab: A Matlab package for Constrained Path Monte Carlo calculations

Published: 1 December 2014| Version 1 | DOI: 10.17632/p8swmtr65s.1
Huy Nguyen, Hao Shi, Jie Xu, Shiwei Zhang


Abstract We describe CPMC-Lab, a Matlab program for the constrained-path and phaseless auxiliary-field Monte Carlo methods. These methods have allowed applications ranging from the study of strongly correlated models, such as the Hubbard model, to ab initio calculations in molecules and solids. The present package implements the full ground-state constrained-path Monte Carlo (CPMC) method in Matlab with a graphical interface, using the Hubbard model as an example. The package can perform calculations ... Title of program: CPMC-Lab Catalogue Id: AEUD_v1_0 Nature of problem Obtaining ground state energy of a repulsive Hubbard model in a supercell in any number of dimensions. Versions of this program held in the CPC repository in Mendeley Data AEUD_v1_0; CPMC-Lab; 10.1016/j.cpc.2014.08.003 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)



Surface Science, Condensed Matter Physics, Computational Physics