• Title of article

    Semi-classical Monte Carlo path integration without root searches

  • Author/Authors

    Kinugawa، نويسنده , , Tohru، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 1995
  • Pages
    7
  • From page
    395
  • To page
    401
  • Abstract
    A Monte Carlo procedure was developed for numerical path integration using the time-dependent propagator of Van Vleck and Gutzwiller. The work of Heller [J. Chem. Phys. 94 (1991) 2723] was reformulated in the style of a classical trajectory computation with stochastic samplings of the initial conditions, which further moderates the singularities at caustics. Numerical tests in one-dimension showed that the approach is accurate and workable for molecular dynamical calculations.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    1995
  • Journal title
    Chemical Physics Letters
  • Record number

    1773167