Author： Boujut V. Michelot F. Leroy C.
Publisher： Taylor & Francis Ltd
ISSN： 1362-3028
Source： Molecular Physics, Vol.93, Iss.6, 1998-04, pp. : 879-885
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Abstract
A symmetrized basis adapted to the study of some vibrational excited states of spherical top molecules is proposed. This basis, consistent with the Cartesian picture associated with a three-dimensional mode, is then tested numerically through various XY6 and XY4 molecules. In addition, some simulations, made with 238UF6 and a simplified version of an effective Hamiltonian, clearly show that the method can be further extended through the construction of a symmetrized local rovibrational basis.
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