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physics.comp-ph2017
Towards the solution of the many-electron problem in real materials: equation of state of the hydrogen chain with state-of-the-art many-body methods
Mario Motta, David M. Ceperley, Garnet Kin-Lic Chan +18
We present numerical results for the equation of state of an infinite chain of hydrogen atoms. A variety of modern many-body methods are employed, with exhaustive cross-checks and…
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…