Abstract
‘Exact’ vibrational sums of states G v( E) for non-separable anharmonic oscillators in several non-linear triatomics and formaldehyde are obtained by generating all compositions of the relevant quantum numbers from which the correspondmg energy levels are calculated and then counted up. The G v( E) so produced confirm the G v( E) calculated by multidimensional Monte Carlo integration, at less computational effort for the triatomics. The first-order steepest-descent routine in the Morse oscillator representation is shown to be a good smooth-function approximation to the ‘exact’ non-separable anharmonic G v( E) if the molecular frequencies are not too low and the energy and anharmonicity coefficients are not too high.
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