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Example 2: NH and AlH

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Sergey Yurchenko edited this page Nov 1, 2022 · 5 revisions

NH

Build a Duo input for NH using the data from to compute rovibronic energies of NH and to refine to the experimental energies from this paper Koput (2015), see pdf.

AlH

Build an empirical PEC for AlH by fitting directly to the experimental energies from [Koput (2015)]https://doi.org/10.1002/jcc.26026), see pdf.

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