Vol. 12, issue 02, article # 5
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Abstract:
Transformation of the centrifugal distortion Hamiltonian describing a random pair resonance in non-rigid X2Y molecules to the form having the least number of diagonals in the basis of rotational wavefunctions is considered. An influence of a large-amplitude oscillation upon such transformation is analyzed. The transformation is shown to change significantly the form of the initial Hamiltonian and to be diverging in some cases.