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Shape resonance effects in the photoabsorption spectra of BF3

机译:Shape resonance effects in the photoabsorption spectra of BF3

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摘要

Multiplehyphen;scattering model calculations of cross sections for dipole transitions from all occupied orbitals of BF3to excited bound states and continuum states of electron kinetic energy 30 eV are presented. The photoelectron angular distribution asymmetry parameters bgr; are also given for all occupied orbitals. The boron and fluorineKhyphen;shell calculations are in qualitative agreement with, and provide a clear interpretation of, the measured spectra. Two shape resonances are found in the low energy continuum: one ofaprime;1symmetry, the other of eprime; symmetry. The resonances are found to be due to trapping ofpwaves on the fluorine atoms. This atomic localization as well as the dominance of lowhyphen;lpartial waves outside the molecule put these shape resonances in a class distinct from those observed in diatomic molecules.

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