• Vibrational-rotational (v-J) levels of HD+, evaluated in the adiabatic approximation for the electronic ground state (1sσg)

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      https://www.ias.ac.in/article/fulltext/jcsc/097/02/0191-0207

    • Keywords

       

      Born-Oppenheimer approximation; adiabatic approximation; nonadiabatic approximation; clamped nuclei; infinitely heavy nuclei

    • Abstract

       

      The vibrational-rotational (v-J) energies of HD+ in the electronic ground state (1sσg) are calculated in the ‘adiabatic’ approximation. The accurate wave functions and energies calculated in the approximation, where the nuclei are ‘infinitely heavy’, are used as the basis for the calculation, and thus the (v-J) energies are believed to be better. Furthermore, meticulous attention has been paid to the numerical evaluation of the (v-J) energies, ensuring that the possible numerical truncations, at each stage, are reduced to a minimum, thus enhancing the credence that the energy eigenvalues within the limits of the approximation, are better than the ones reported earlier.

    • Author Affiliations

       

      R S Bhattacharjee1 R P Saxena1 P K Srivastava1 K V Sane1 2

      1. Department of Physics and Astrophysics, University of Delhi, Delhi - 110 007, India
      2. Department of Chemistry, University of Delhi, Delhi - 110 007, India
    • Dates

       
  • Journal of Chemical Sciences | News

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