• 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
  • Pages
    4
  • From page
    431
  • To page
    434
  • 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
  • Serial Year
    2008
  • Journal title
    Chemical Physics Letters
  • Record number

    1925052