Projector Monte Carlo method based on configuration state functions.: Test applications to the H4 system and dissociation of LiH

A projector Monte Carlo method based on configuration state functions (PMC-CSF) is developed, which does not require the nodes of trial wave functions. The accuracy of the PMC-CSF method is systematically improved by increasing the number of walkers. As demonstrated by test applications to the H-4 and LiH systems, full-CI energies are obtainable as a limit for a given basis set. In addition, the PMC-CSF method is suitable for parallel calculations. (C) 2008 Elsevier B. V. All rights reserved.