The Size and Vibration Frequency of the Excited Benzene Molecule

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Abstract
It is shown that the change in size and vibration frequency of a polyatomic molecule upon electronic excitation can be calculated if the excitation energy is known as function of the distance. This is applied to benzene, for which this function is calculated both with the Heitler-London-Slater-Pauling method and the molecular orbital method. Upon comparison with experiment, it is found that both methods give the right sign and order of magnitude for the change in size, but the wrong sign for the change in frequency.

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