126 citations · 269 across the 5 of their papers we have counts for
5 papers
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…
Local Hamiltonians for quantitative Green's function embedding methods
Alexander A. Rusakov, Jordan J. Phillips, Dominika Zgid
Embedding calculations that find approximate solutions to the Schrödinger equation for large molecules and realistic solids are performed commonly in a three step procedure involvi…
The description of strong correlation within self-consistent Green's function second-order perturbation theory
Jordan J. Phillips, Dominika Zgid
We report an implementation of self-consistent Green's function many-body theory within a second-order approximation (GF2) for application with molecular systems. This is done by i…