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- W2041282303 abstract "Abstract The rotation-vibration-electronic Hamiltonian of a triatomic molecule has been derived in a manner similar to that used by J. T. Hougen, P. R. Bunker, and J. W. C. Johns [ J. Mol. Spectrosc. 34, 136 (1970)] in deriving the rotation-vibration Hamiltonian. An effective rotation-vibration Hamiltonian for the ground electronic state has been obtained from this, by using the perturbation technique of P. R. Bunker and R. E. Moss [ Mol. Phys. 33, 417 (1977)], in order to account for the effect of the breakdown of the Born-Oppenheimer approximation to second order. The same form of effective rotation-vibration Hamiltonian, in which the breakdown of the Born-Oppenheimer approximation is allowed for, will be obtained for any molecule. This Hamiltonian contains effective moments of inertia (these involve rotation g -factor corrections) and effective nuclear masses (likely to be close to the atomic masses). Following the procedure of A. R. Hoy and P. R. Bunker [ J. Mol. Spectrosc. 74, 1 (1979)] the effective rotation-bending Hamiltonian is derived from the effective rotation-vibration Hamiltonian, and this could be used to fit the rotation-bending energy levels." @default.
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- W2041282303 title "The effect of the breakdown of the Born-Oppenheimer approximation on the rotation-vibration Hamiltonian of a triatomic molecule" @default.
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- W2041282303 doi "https://doi.org/10.1016/0022-2852(80)90283-0" @default.
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