NON-ADIABATIC ENERGIES OF THE HYDROGEN MOLECULE

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2013

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Ohio State University

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A novel perturbation theory has been developed to account for nonadiabatic effects in diatomic molecules, 164113 (2009)}. All molecular levels can be obtained simultanously from a single nuclear equation corrected for the presence of (m/M)2 terms. Comparison with the direct nonadiabatic calculations for rotationless states of H2 demonstrates an agreement at the level of 10−5 cm−1 for the ground tone transition.

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Author Institution: Faculty of Physics, University of Warsaw; Ho.za 69, 00-681 Warsaw, Poland; Faculty of Chemistry, A. Mickiewicz University; Grunwaldzka 6, 60-780 Poznan, Poland

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