A rotational energy surface study for low polyad structures of the general rovibrational Hamiltonian

Abstract

A comprehensive study of a rotor coupled to a uni-axial molecule is carried out. The deformation of the Rotational Energy Surface (RES) of the rigid rotor was of interest in the three types of tops: prolate, asymmetric, and oblate. The increase of uni-axial angular momentum and inertia distorts the symmetry of the rotor molecule, which shows up as a deformation in the RES. The semi-classical calculation of the coupled system resulted in multiple RESs of various topologies. The goal of this work is to give a description of the rotational energy surface for various polyad structures from the general Rovibrational Hamiltonian.

Keywords:

• rotational energy surface
• RES
• RE surface

Notes

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