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Nonrelativistic energy levels of D2

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Nonrelativistic energies of the deuterium molecule, accurate to 10−7–10−8 cm−1 for all levels located up to 8000 cm−1 above the ground state, are presented. The employed nonadiabatic James-Coolidge wave functions with angular factors enable the high accuracy to be reached regardless of vibrational or rotational quantum number. The derivative of the energy with respect to the deuteron-to-electron mass ratio is supplied for each level, which makes the results independent of the future changes in this physical parameter and will enable its determination from sufficiently accurate experimental data.

Graphical abstract: Nonrelativistic energy levels of D2

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Publication details

The article was received on 07 Mar 2019, accepted on 25 Apr 2019 and first published on 26 Apr 2019

Article type: Paper
DOI: 10.1039/C9CP01308C
Phys. Chem. Chem. Phys., 2019, Advance Article

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    Nonrelativistic energy levels of D2

    K. Pachucki and J. Komasa, Phys. Chem. Chem. Phys., 2019, Advance Article , DOI: 10.1039/C9CP01308C

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