KVV Auger spectrum of F2: The importance of hole–hole correlation
- 15 February 1983
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 78 (4) , 1652-1662
- https://doi.org/10.1063/1.444963
Abstract
The KVV Auger spectrum of F2 has been measured and analyzed in terms of theoretical models of different levels of sophistication. In contrast to the corresponding spectra of many small molecules, this spectrum cannot be described in terms of an independent‐particle model. The approach suggested by Thomas and Weightman, which allows in an approximate way for hole–hole interaction, gives noticeably improved results. A more accurate, configuration‐interaction treatment developed by Jennison gives reasonable agreement with experiment. Peak assignments based on comparison of this theory with the experimental spectrum have been made. This spectrum provides a very clear case where hole–hole correlation effects are important. The experimental spectrum is unusual in that the lines are generally narrow, in contrast to many KVV spectra, which often have quite broad lines. The ionization potentials for the 2σg and 2σu orbitals have been measured. The relative cross sections for ionization from these orbitals are equal, suggesting that those orbitals arise almost entirely from fluorine 2s atomic orbitals, with little admixture from 2p.Keywords
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