Vol. 16, issue 11, article # 9
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Abstract:
Simple, one-dimensional model of bending-rotation motion in a triatomic molecule is used to estimate the off-diagonal Hamiltonian matrix elements related to the high-order resonances in water molecule. It is shown that the resonances of this type arise due to strong centrifugal distortion near the linear configuration in a triatomic molecule having low barrier to linearity. The off-diagonal matrix elements are quite large, if the wave functions are near the linear configuration.