The asymmetric rotor. VII. Extension of the calculation of energy levels

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Abstract

Various methods of computing the energy levels of the asymmetric rotor are reviewed for values of high angular momentum which are required in the interpretation of infra-red and micro-wave spectra. A table of values of J = 11 and 12 is given and over the whole range of asymmetry -1 ≤ κ ≤ 1. Methods of using the Correspondence Principle, Mathieu functions, harmonic oscillator matrices, and power series expansions are discussed, and this survey indicates there is always a region of some degree of asymmetry where the exact value has to be obtained from the rigorous matrix-mechanical formulation. Methods of obtaining energy values for small intervals in κ from existing tables are also discussed.

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Hainer, R. M., Cross, P. C., & King, G. W. (1949). The asymmetric rotor. VII. Extension of the calculation of energy levels. The Journal of Chemical Physics, 17(9), 826–836. https://doi.org/10.1063/1.1747406

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