Electron Propagator Methods for Vertical Electron Detachment Energies of Anions: Benchmarks and Case Studies.
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DOI: 10.1021/acs.jctc.8b00736
Abstract: Ab initio electron propagator methods are efficient and accurate means of calculating vertical electron detachment energies of closed-shell, molecular anions with nuclei from the first three periods. Basis set extrapolations enable definitive comparisons between electron… read more here.
Keywords: propagator methods; order; electron detachment; electron ... See more keywords