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Determinable parameters of the effective rotational hamiltonians for excited vibrational states of semirigid symmetric top molecules

Sarka, K. ; Papoušek, D.

Molecular physics, 1988-11, Vol.65 (4), p.829-841 [Periódico revisado por pares]

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Título:
Determinable parameters of the effective rotational hamiltonians for excited vibrational states of semirigid symmetric top molecules
Autor: Sarka, K. ; Papoušek, D.
Assuntos: Atomic and molecular physics ; Exact sciences and technology ; Molecular properties and interactions with photons ; Molecular spectra ; Physics
É parte de: Molecular physics, 1988-11, Vol.65 (4), p.829-841
Descrição: A general method is described for obtaining the S functions which in the contact transformation of the vibration-rotation hamiltonian eliminate the rotational and vibrational l-type operators and the Δk = ±3 centrifugal distortion operators from the λH terms of the expanded hamiltonian. This makes it possible to obtain effective rotational hamiltonians for any vibrational state of a semirigid symmetric top molecule. Explicit expressions are given for the vibration-rotation energy levels of molecules with C 3ν or D 3 symmetry with independent effective spectroscopic parameters. Expressions are also given for the splittings of energy levels with essential resonances.
Editor: London: Taylor & Francis Group
Idioma: Inglês

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