• Title of article

    Ab initio potential energy curves and transition dipole moments for the low-lying states of CH+

  • Author/Authors

    Biglari، نويسنده , , Zeinab and Shayesteh، نويسنده , , Alireza and Maghari، نويسنده , , Ali، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2014
  • Pages
    8
  • From page
    22
  • To page
    29
  • Abstract
    Ab initio potential energy curves and transition dipole moments have been calculated for the X1Σ+, A1Π, B1Δ, C1Σ+, D1Π, 31Σ+, a3Π, b3Σ−, c3Σ+, d3Π, 23Σ−, 15Σ− and 15Π states of CH+ using the multi-reference configuration interaction method with large active space and basis sets. Accurate transition dipole moments have been computed from 1.0a0 to 8.0a0, and were used to calculate average lifetimes of excited state vibrational levels. These transition dipole moments can be used to calculate the Einstein A coefficients for all rovibronic transitions of CH+ appearing in stellar spectra.
  • Keywords
    Lifetimes , Transition dipole moments , CH+ ion , MRCI potential energy curves
  • Journal title
    Computational and Theoretical Chemistry
  • Serial Year
    2014
  • Journal title
    Computational and Theoretical Chemistry
  • Record number

    2287136