Application of Pade-forms hamiltonians for fitting and calculating of high-lying vibration-rotation energy levels in diatomic molecules
| Parent link: | Proceedings of SPIE: 11th Symposium and School on High-Resolution Molecular Spectroscopy, January 26, 1994.— , 1960- Vol. 2205.— 1994.— [P. 192-198] |
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| Další autoři: | , |
| Shrnutí: | Title screen The Pade-technique, developed before, along with the RKR-method is used for describing the absorption frequencies and energy levels of diatomic molecules. The inner wall of the potential energy curve is extrapolated from the force field adjusted in the fitting of low-laying energy levels, and a long-range part of the potential energy curve near dissociation is recovered by application of the RKR-method. The latter uses the extrapolated values of the vibrational energy levels. The similar calculations have been made through the adjusted spectroscopic parameters obtained by a phenomenological Pade-approach. Ab initio energies of the H2 molecule have been exploited to test the Pade-models. Режим доступа: по договору с организацией-держателем ресурса |
| Jazyk: | angličtina |
| Vydáno: |
1994
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| On-line přístup: | http://proceedings.spiedigitallibrary.org/proceeding.aspx?articleid=961685 |
| Médium: | Elektronický zdroj Kapitola |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=642649 |