• Title of article

    An exact Eckart-embedded kinetic energy operator in Radau coordinates for triatomic molecules

  • Author/Authors

    Wei، نويسنده , , Hua and Carrington Jr.، نويسنده , , Tucker، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 1998
  • Pages
    12
  • From page
    289
  • To page
    300
  • Abstract
    We present exact kinetic energy operators in Radau coordinates for two general families of molecule-fixed frames. The members of one molecule-fixed frame family are distinguished by different values of a parameter f. Special values of f yield the Radau vector- and bisector-embedded kinetic energy operators. The members of the other family of molecule-fixed frames are all Eckart frames. The members of this family are distinguished by different values of a parameter ηe. The Coriolis terms of the exact Eckart kinetic energy operator do not depend on ηe. The exact Eckart embedded Radau kinetic energy operator should be useful for calculating and analysing ro-vibrational spectra.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    1998
  • Journal title
    Chemical Physics Letters
  • Record number

    1773089