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.
Volume 134, 2022
Continuous Article Publishing mode
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