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Vibronic mass computation for the <i>EF</i>–<i>GK</i>–<i>H</i> <sup>1</sup>Σ<sub>g</sub><sup>+</sup> manifold of molecular hydrogen

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Taylor & Francis Group2022-12-21 更新2026-04-16 收录
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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 <i>EF</i>–<i>GK</i>–<i>HH¯</i>–<i>S5</i>–<i>S6</i> 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
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