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https://dspace.ffh.bg.ac.rs/handle/123456789/1330| Title: | Perturbative and variational handling of the Renner-Teller effect in Δ electronic states of triatomic molecules | Authors: | Perić, Miljenko | Issue Date: | 19-Feb-1999 | Journal: | Chemical Physics Letters | Abstract: | Second-order perturbative formulae for handling the Renner-Teller effect in Δ electronic states of triatomic molecules are derived. They are applied to calculate vibronic energy levels of the X 5Δg state of FeH2. The ab initio computed bending potential energy curves are employed. The results of perturbative calculations are compared with those obtained by means of a variational approach. |
URI: | https://dspace.ffh.bg.ac.rs/handle/123456789/1330 | ISSN: | 0009-2614 | DOI: | 10.1016/S0009-2614(99)00008-1 |
| Appears in Collections: | Journal Article |
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