Molecular theory of ZEKE spectroscopy

In this paper, we derive the double-resonance and single-resonance 2-photon absorption cross sections for zero electron kinetic energy (ZEKE) spectroscopy using the inverse Born-Oppenheimer approxn. (IBOA) as a basis set. Quantum chem. calcns. can then be used to evaluate the ZEKE spectra. To show how to analyze the vibronic spectra of ZEKE spectroscopy, a couple of examples were analyzed. Quantum chem. calcns. can be employed to obtain the potential surfaces of mols. and their ions, which can be used to calc. the Franck-Condon factors involved in the vibronic transitions. We also show that using the IBOA as a basis set, the autoionization of the ZEKE states can be calcd. [on SciFinder(R)]     «

In this paper, we derive the double-resonance and single-resonance 2-photon absorption cross sections for zero electron kinetic energy (ZEKE) spectroscopy using the inverse Born-Oppenheimer approxn. (IBOA) as a basis set. Quantum chem. calcns. can then be used to evaluate the ZEKE spectra. To show how to analyze the vibronic spectra of ZEKE spectroscopy, a couple of examples were analyzed. Quantum chem. calcns. can be employed to obtain the potential surfaces of mols. and their ions, which can b...     »