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https://dspace.ffh.bg.ac.rs/handle/123456789/1433| Title: | Ab initio investigation of the Renner effect in the C<inf>3</inf> molecule | Authors: | Perić, Miljenko Radić-Perić, Jelena |
Issue Date: | 1-Nov-1979 | Journal: | Chemical Physics Letters | Abstract: | A method is developed for the ab initio treatment of the coupling between the electronic and vibrational motions in triatomic molecules. It is based on a polynomial expansion of the molecular potential and the use of a variational method for calculations of vibronic wavefunctions. The results for the 1Hu state of the C3 molecule are reported. © 1979. |
URI: | https://dspace.ffh.bg.ac.rs/handle/123456789/1433 | ISSN: | 0009-2614 | DOI: | 10.1016/0009-2614(79)87122-5 |
| Appears in Collections: | Journal Article |
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