most citedIonization potentials and electron affinities from the extended Koopmans' theorem in self-consistent Green's function theory

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physics.comp-ph2015★ 9 cited

Ionization potentials and electron affinities from the extended Koopmans' theorem in self-consistent Green's function theory

Alicia Rae Welden, Jordan J. Phillips, Dominika Zgid

One-body Green's function theories implemented on the real frequency axis offer a natural formalism for the unbiased theoretical determination of quasiparticle spectra in molecules…