• Title of article

    New dipole moment surfaces of methane

  • Author/Authors

    Nikitin ، نويسنده , , Andrei V. and Rey، نويسنده , , Michael and Tyuterev، نويسنده , , Vladimir G.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2013
  • Pages
    7
  • From page
    5
  • To page
    11
  • Abstract
    New dipole moment surfaces (DMS) of methane are constructed using extended ab initio CCSD(T) calculations at 19 882 nuclear configurations. The DMS analytical representation is determined through an expansion in symmetry adapted products of internal nonlinear coordinates involving 967 parameters up to the 6th order. Integrated intensities of seven lower polyads up to J = 30 for 12CH4 and 13CH4 are in a good agreement with the HITRAN 2008 database, and with other available experimental data.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2013
  • Journal title
    Chemical Physics Letters
  • Record number

    1934605