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https://dspace.ffh.bg.ac.rs/handle/123456789/1421| Title: | Potential surfaces for valence-type singlet electronic states of the HCN molecule |
| Authors: | Perić, Miljenko Dohmann, H. Peyerimhoff, S. D. Buenker, Robert J. |
| Keywords: | 31;36 |
| Issue Date: | 1-Jan-1987 |
| Journal: | Zeitschrift für Physik D Atoms, Molecules and Clusters |
| Abstract: | The results of an extensive configuration interaction study of the singlet valence-type electronic states of HCN are presented. Potential surfaces corresponding to large amplitude variations of all three vibrational coordinates are calculated. Special attention is paid to a description of the bending and of the H-CN dissociation processes. The overall agreement with available experimental findings promises a successful interpretation of the observed spectra, which will be the topic of a subsequent paper. © 1987 Springer-Verlag. |
| URI: | https://dspace.ffh.bg.ac.rs/handle/123456789/1421 |
| ISSN: | 0178-7683 |
| DOI: | 10.1007/BF01436576 |
| Appears in Collections: | Journal Article |
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