Application of the Pade-form hamiltonians for processing of vibration-rotation spectra of diatomic and triatomic molecules
| Parent link: | Journal of Molecular Structureer.— , 1957- Vol. 218.— 1990.— [P. 291–296] |
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| Diğer Yazarlar: | , |
| Özet: | Title screen The advantages of the use of Pade-type rotational and vibrational-rotational hamiltonians for the process of high resolution molecular spectra are discussed. The brief summary of relevant studies carried out by the authors and a general background are given first. New application to accidental resonances in the water molecule and to diatomics are considered. The relations between Pade-approximants and the molecular potential function are derived on the basis of perturbation theory. Marked improvements in the extrapolation of the HBr rotation-vibration frequencies are achieved from the force field recovered from the precedent fit. Режим доступа: по договору с организацией-держателем ресурса |
| Dil: | İngilizce |
| Baskı/Yayın Bilgisi: |
1990
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| Online Erişim: | http://dx.doi.org/10.1016/0022-2860(90)80282-O |
| Materyal Türü: | Elektronik Kitap Bölümü |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=642569 |
| Özet: | Title screen The advantages of the use of Pade-type rotational and vibrational-rotational hamiltonians for the process of high resolution molecular spectra are discussed. The brief summary of relevant studies carried out by the authors and a general background are given first. New application to accidental resonances in the water molecule and to diatomics are considered. The relations between Pade-approximants and the molecular potential function are derived on the basis of perturbation theory. Marked improvements in the extrapolation of the HBr rotation-vibration frequencies are achieved from the force field recovered from the precedent fit. Режим доступа: по договору с организацией-держателем ресурса |
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| DOI: | 10.1016/0022-2860(90)80282-O |