Application of the algebraic approach to molecular thermodynamics and quantum deformations |
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Authors: | Maia Angelova |
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Institution: | 1. School of Informatics, Northumbria University, Ellison Place, GB-NE1 8ST, Newcastle upon Tyne, UK
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Abstract: | An algebraic model based on Lie-algebraic techniques is applied to vibrational molecular thermodynamics. The model uses the isomorphism between the SU(2) algebra and the one-dimensional Morse oscillator. A vibrational high-temperature partition function and the related thermodynamic properties are derived in terms of the parameters of the model. The anharmonic vibrations are described as anharmonic q-bosons using a first-order expansion of a quantum deformation. It is shown, that this quantum deformation is related to the shape of the Morse potential. |
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