Electron Propagator Self-Energies versus Improved GW100 Vertical Ionization Energies.
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DOI: 10.1021/acs.jctc.2c00502
Abstract: Ab initio electron propagator (EP) methods that are free of adjustable parameters in their self-energy formulae and in the generation of their orbital bases have been applied to the calculation of the lowest vertical ionization… read more here.
Keywords: ionization energies; electron propagator; self energies; vertical ionization ... See more keywords