• Title of article

    Simulation of quantum systems using path integrals in a generalized ensemble

  • Author/Authors

    Ioan Andricioaei and Timothy A. Springer، نويسنده , , Ioan and Straub، نويسنده , , John E. and Karplus، نويسنده , , Martin، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2001
  • Pages
    9
  • From page
    274
  • To page
    282
  • Abstract
    The possibility of using path-integral simulations in a generalized ensemble based on the Tsallis statistics is explored. The primitive model algorithm with the Tsallis ensemble replacing the canonical ensemble converges to the quantum-mechanical result with a smaller number of beads in the isomorphic chain. Examples considered are the harmonic oscillator, two double-well systems and a double-well system immersed in an adiabatic solvent.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2001
  • Journal title
    Chemical Physics Letters
  • Record number

    1777846