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