Fitting the Rovibrational Spectra with an Effective Rotational–Large Amplitude Motion Hamiltonian
A general method of solution for the rovibrational problem for a single large amplitude motion coupled to the overall rotation is presented. The numerical construction of the effective rovibrational Hamiltonian is applicable to any semirigid or flexible model for a large amplitude motion. High-order...
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| Veröffentlicht in: | Journal of molecular spectroscopy 1996-03, Vol.176 (1), p.169-179 |
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| container_title | Journal of molecular spectroscopy |
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| creator | Makarewicz, J. |
| description | A general method of solution for the rovibrational problem for a single large amplitude motion coupled to the overall rotation is presented. The numerical construction of the effective rovibrational Hamiltonian is applicable to any semirigid or flexible model for a large amplitude motion. High-order centrifugal distortion and Coriolis interaction terms generated by the small amplitude vibrations of normal modes are effectively included into the Hamiltonian. The method is illustrated by performing a global fit of the rotational transitions observed in the ground and excited states of some typical large amplitude modes. |
| doi_str_mv | 10.1006/jmsp.1996.0074 |
| format | Article |
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The numerical construction of the effective rovibrational Hamiltonian is applicable to any semirigid or flexible model for a large amplitude motion. High-order centrifugal distortion and Coriolis interaction terms generated by the small amplitude vibrations of normal modes are effectively included into the Hamiltonian. 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The numerical construction of the effective rovibrational Hamiltonian is applicable to any semirigid or flexible model for a large amplitude motion. High-order centrifugal distortion and Coriolis interaction terms generated by the small amplitude vibrations of normal modes are effectively included into the Hamiltonian. 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The numerical construction of the effective rovibrational Hamiltonian is applicable to any semirigid or flexible model for a large amplitude motion. High-order centrifugal distortion and Coriolis interaction terms generated by the small amplitude vibrations of normal modes are effectively included into the Hamiltonian. The method is illustrated by performing a global fit of the rotational transitions observed in the ground and excited states of some typical large amplitude modes.</abstract><pub>Elsevier Inc</pub><doi>10.1006/jmsp.1996.0074</doi><tpages>11</tpages></addata></record> |
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| ispartof | Journal of molecular spectroscopy, 1996-03, Vol.176 (1), p.169-179 |
| issn | 0022-2852 1096-083X |
| language | eng |
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| source | Elsevier ScienceDirect Journals |
| title | Fitting the Rovibrational Spectra with an Effective Rotational–Large Amplitude Motion Hamiltonian |
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