• Title of article

    Flexible monomer formulation for non-rigid systems

  • Author/Authors

    Gatti، نويسنده , , Fabien، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2003
  • Pages
    7
  • From page
    146
  • To page
    152
  • Abstract
    In this Letter, the general and rigorous approach for deriving adiabatically constrained kinetic energy operators of Gatti et al. is reformulated and simplified. Emphasis is placed on weakly bound systems such as van der Waals polymers, molecules bound to a surface or located inside a rare gas matrix since an adiabatic approximation might turn out to be very relevant for them. This allows us to recast the flexible adiabatic monomer formulation into that for the rigid case.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2003
  • Journal title
    Chemical Physics Letters
  • Record number

    1784284