Vibronic mass computation for the <i>EF</i>–<i>GK</i>–<i>H</i> <sup>1</sup>?<sub>g</sub><sup>+</sup> manifold of molecular hydrogen
نویسندگان
چکیده
A variational procedure is described for the computation of non-adiabatic mass-correction matrix applicable multi-dimensional electronic manifolds. The 30-year-old computations Wolniewicz, Dressler, and their co-workers are appended with computed vibronic functions corresponding to EF–GK–HH¯–S5–S6 1?g+ manifold hydrogen molecule. Initial results reported energies. Necessary further improvements developments discussed.
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ژورنال
عنوان ژورنال: Molecular Physics
سال: 2022
ISSN: ['1362-3028', '0026-8976']
DOI: https://doi.org/10.1080/00268976.2022.2074905