On the Operator Formulation of the Polyatomic Molecule Partition Function
نویسندگان
چکیده
The Nielsen Hamiltonian of the general polyatomic molecule including anharmonicity and its resonances, Coriolis-coupling and its resonances, and rotation-vibration interaction are treated by statistical perturbat ion theory in its operator form. By generating function methods and operator theorems, which are treated in an appendix, cumbersome calculations with non-commuting operators are avoided. The results for H 2 0 and S 0 2 agree very well with accurate numerical calculations f rom the literature. Qualitative conclusions on the convergence of the per turbat ion series are drawn f rom the numerical calculations for model systems.
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