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Chemical Physics Letters

Quantum algebraic description of vibrational molecular spectra

Dennis Bonatsos A, P. P. Raychev, Amand Faessler

Published Mar 1, 1991• 59 citations
Publisher
DOI
10.1016/0009-2614(91)87060-o

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The SU q (1,1) quantum algebra is used for the description of vibrational spectra of diatomic molecules for which SU(1,1) is used in the classical approach. While in the classical case only the first two terms of the empirical Dunham expansion occur, in the quantum case all terms are obtained. The improved description of the empirical data is obtained with q being a phase (and not a real number), in agreement with the situation occurring in the q-rotor (having the symmetry SU q (2)) used for the description of rotational spectra of molecules and nuclei.
A generalized deformed oscillator giving the same spectrum as the Morse potential is constructed through the use of quantum-algebraic techniques. The model of n coupled anharmonic oscillators of Iachello and Oss [Phys. Rev. Lett. 66, 2976 (1991)], suitable for the description of vibrational spectra of polyatomic molecules, is subsequently written in terms of such generalized deformed oscillators. In addition to clarifying the relation of the model of Iachello and Oss to other models using coupled oscillators for the description of vibrational molecular spectra, the present formalism allows for the construction of a large class of exactly soluble models with no extra computational effort. As an example, the way of including a coupling of the Darling-Dennison type is shown.