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A DERIVATION OF MOLECULAR VIBRATIONAL-ROTATIONAL HAMILTONIANS
dc.creator | Calogeracos, A. | en |
dc.creator | Castillejo, L. | en |
dc.date.accessioned | 2015-11-23T10:24:19Z | |
dc.date.available | 2015-11-23T10:24:19Z | |
dc.date.issued | 1993 | |
dc.identifier | 10.1080/00268979300103081 | |
dc.identifier.issn | 0026-8976 | |
dc.identifier.uri | http://hdl.handle.net/11615/26502 | |
dc.description.abstract | The problem of collective molecular coordinates is examined within the Hamiltonian formalism by enlarging the number of degrees of freedom and transforming the model to a gauge theory (a theory where the solutions to the equations of motion include arbitrary functions of time). It turns out that in the case of a nonlinear molecule and within the harmonic approximation the most appropriate gauge fixing conditions are the Eckart conditions; thus the Wilson-Howard Hamiltonian is derived. The case of a linear molecule is examined as a second application, and it is found that there are two reasonable gauge choices. The question of the linear molecule as the limiting case of a nonlinear one is also elucidated. | en |
dc.source | Molecular Physics | en |
dc.source.uri | <Go to ISI>://WOS:A1993MQ34500007 | |
dc.subject | Physics, Atomic, Molecular & Chemical | en |
dc.title | A DERIVATION OF MOLECULAR VIBRATIONAL-ROTATIONAL HAMILTONIANS | en |
dc.type | journalArticle | en |
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