Abstract
The correlation function describes the time development of the wave packet placed by photoabsorption or photoionization onto the potential surface of an upper electronic state. The function can be obtained as a Fourier transform of the electronic band, and gives information about the features of the final state. The analytical expressions for the correlation function within the harmonic oscillator approximation are presented. Because of some unique properties of the correlation function, the expressions can be used to obtain accurate geometric details of the final state from experimental data. The approach is tested on some photoelectron spectra of diatomics and compared to known data. The method yields the equilibrium internuclear distance with an accuracy of ±0.0025 Å, and resolves the sign uncertainty present in the conventional harmonic Franck–Condon analysis. The comparison of the experimental data with the predictions of the harmonic model gives a deeper insight into the behavior of a wave packet in an anharmonic potential.
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