The molecular Hamiltonian with two-rotational-angle embedding |
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Authors: | R. Islampour M. Gharibi |
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Affiliation: | 1. Department of Chemistry , University for Teacher Education , 49 Mofateh Avenue, Tehran, Iran islampour@saba.tmu.ac.ir;3. Department of Chemistry , University for Teacher Education , 49 Mofateh Avenue, Tehran, Iran |
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Abstract: | Our approach for the derivation of the exact (non-relativistic) translational–rovibronic Hamiltonian, based on the Hamiltonian operator in tensor form, is now extended to cases in which a body-fixed frame is defined via the introduction of two Euler angles (two-rotational-angle embedding). Diatomic molecules and diatom–diatom systems are considered as examples for this general formulation. For comparison, the three-rotational-angle embedding version of the diatom–diatom Hamiltonian is also derived. |
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Keywords: | Molecular hamiltonian Large-amplitude vibrations |
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