Title of article :
Projector Monte Carlo method based on configuration state functions. Test applications to the H4 system and dissociation of LiH
Author/Authors :
Ohtsuka، نويسنده , , Yuhki and Nagase، نويسنده , , Shigeru، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2008
Abstract :
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 H4 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.
Journal title :
Chemical Physics Letters
Journal title :
Chemical Physics Letters