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Published in

American Institute of Physics, The Journal of Chemical Physics, 21(128), p. 214306

DOI: 10.1063/1.2929832

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Towards universal potentials for (H2)2 and isotopic variants: Post-Born–Oppenheimer contributions

Journal article published in 2008 by Leonardo G. Diniz ORCID, José R. Mohallem
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

Adiabatic corrections are evaluated for the interaction of two hydrogen molecules (H(2))(2) and isotopic variants. Their contribution to the cluster formation amount up to 10% of the interaction energy. Added to the best ab initio Born-Oppenheimer isotropic potential, they correct especially its short range repulsive part. Calculations of second virial coefficients are improved in general, with an impressive agreement with experiments for gaseous D(2) in a large range of temperatures. The potentials are available in both analytical and numerical forms.