• Title of article

    Refining to near spectroscopic accuracy the double many-body expansion potential energy surface for ground-state NH2

  • Author/Authors

    Rodrigues، نويسنده , , S.P.J. and Fontes، نويسنده , , A.C.G. and Li، نويسنده , , Y.Q. and Varandas، نويسنده , , A.J.C.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2011
  • Pages
    6
  • From page
    17
  • To page
    22
  • Abstract
    The single-sheeted double many-body expansion potential energy surface for the ground-state of NH2 is refined to attain near spectroscopic accuracy from a multiproperty fit to accurate ab initio energies and experimental vibrational levels, including the Renner–Teller effect for total angular momentum (excluding spin) of N = 0. Quasiclassical trajectory calculations on both the original and newly reported potential energy surfaces suggest that the dynamical properties of the original form remain essentially unaltered as aimed.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2011
  • Journal title
    Chemical Physics Letters
  • Record number

    1932182