I. Calculation and symmetry classification of energy levels

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Abstract

A table of energy level patterns for rigid asymmetric rotors is given, by means of which this approximation to the rotational energies of all molecules up to J = 10 may be readily evaluated. The symmetry classification of each level is determined and expressed in terms of the K values of the limiting prolate- and oblate-symmetric rotors. A simple method is developed for calculating the transformation which diagonalizes the energy matrix and is applied to the derivation of perturbation formulas.

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King, G. W., Hainer, R. M., & Cross, P. C. (1943). I. Calculation and symmetry classification of energy levels. The Journal of Chemical Physics, 11(1), 27–42. https://doi.org/10.1063/1.1723778

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