• Title of article

    Linearization approximations and Liouville quantum–classical dynamics

  • Author/Authors

    Bonella، نويسنده , , Sara and Ciccotti، نويسنده , , Giovanni and Kapral، نويسنده , , Raymond، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2010
  • Pages
    6
  • From page
    399
  • To page
    404
  • Abstract
    We show that linearization methods, commonly used to approximate the evolution of the density operator in mixed quantum–classical systems, can be justified when a small parameter, the ratio of masses of the quantum subsystem and bath, is introduced. The same parameter enters in the derivation of the quantum–classical Liouville equation. Although its original derivation followed from a different formalism, here we show that the basis-free form of the quantum–classical Liouville equation for the density operator can also be obtained by linearization of the exact time evolution of this operator. These results show the equivalence among various quantum–classical schemes.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2010
  • Journal title
    Chemical Physics Letters
  • Record number

    1928181