Vibronic mass computation for the EF–GK–H 1Σg+ manifold of molecular hydrogen
收藏Figshare2022-05-13 更新2026-04-28 收录
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https://figshare.com/articles/dataset/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/19762500
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A variational procedure is described for the computation of the non-adiabatic mass-correction matrix applicable for multi-dimensional electronic manifolds. The 30-year-old computations of Wolniewicz, Dressler, and their co-workers are appended with the computed vibronic mass-correction functions corresponding to the EF–GK–HH¯–S5–S6 1Σg+ manifold of the hydrogen molecule. Initial results are reported for the vibronic energies. Necessary further improvements and further developments are discussed.
创建时间：
2022-05-13
