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Quantum-chemical Remarks about the Continuum

This interpretation is no conceptual difficulty in the case of the lowest I (by the way, it corresponds to the Einstein threshold of photo-electron emission from metallic surfaces, and to Franck s determination of I of gaseous atoms resulting in the name ionization potential which is now disappearing) but the interesting point is that I of penultimate MO (molecular orbitals) and of inner shells also can be determined. [Pg.2]

However, for chemists, it is fascinating that the penultimate MO also can be detected. It was very difficult previously to connect the eigen-values of an effective one-electron operator in an approximate MO calculation (rarely attain- [Pg.2]

The primary ionization process follows Franck and Condon s principle of unchanged intemuclear distances, like visible and ultra-violet spectra (8). Hence, the centre of gravity (barycentre) of the vibrational structure frequently seen in photo- [Pg.3]


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