Nonadiabatic relativistic correction in H2, D2, and HD
Abstract
We calculate the nonadiabatic relativistic correction to rovibrational energy levels of H2, D2, and HD molecules using the nonadiabatic perturbation theory. This approach allows one to obtain nonadiabatic corrections to all the molecular levels with the help of a single effective potential. The obtained results are in very good agreement with the previous direct calculation of nonadiabatic relativistic effects for dissociation energies and resolve the reported discrepancies of theoretical predictions with recent experimental results.
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