244 citations · 2.2k across the 66 of their papers we have counts for
5 papers · 1 filter
Second-order Green's function perturbation theory for periodic systems
Alexander A. Rusakov, Dominika Zgid
Despite recent advances, systematic quantitative treatment of the electron correlation problem in extended systems remains a formidable task. Systematically improvable Green's func…
Towards ab initio self-energy embedding theory in quantum chemistry
Tran Nguyen Lan, Alexei A. Kananenka, Dominika Zgid
The self-energy embedding theory (SEET), in which the active space self-energy is embedded in the self-energy obtained from a perturbative method treating the non-local correlation…
Efficient temperature-dependent Green's functions methods for realistic systems: compact grids for orthogonal polynomial transforms
Alexei A. Kananenka, Jordan J. Phillips, Dominika Zgid
The temperature-dependent Matsubara Green's function that is used to describe temperature-dependent behavior is expressed on a numerical grid. While such a grid usually has a coupl…
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…
Fractional charge and spin errors in self-consistent Green's function theory
Jordan J. Phillips, Alexei A. Kananenka, Dominika Zgid
We examine fractional charge and spin errors in self-consistent Green's function theory within a second-order approximation (GF2). For GF2 it is known that the summation of diagram…