244 citations · 2.2k across the 66 of their papers we have counts for
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Combining Density Functional Theory and Green's Function Theory: Range-Separated, Non-local, Dynamic, and Orbital-Dependent Hybrid Functional
Alexei A. Kananenka, Dominika Zgid
We present a rigorous framework that combines single-particle Green's function theory with density functional theory based on a separation of electron-electron interactions into sh…
Stochastic self-consistent second-order Green's function method for correlation energies of large electronic systems
Daniel Neuhauser, Roi Baer, Dominika Zgid
The second-order Matsubara Green's function method (GF2) is a robust temperature dependent quantum chemistry approach, extending beyond the random-phase approximation. However, til…
Testing self-energy embedding theory in combination with GW
Tran Nguyen Lan, Avijit Shee, Jia Li +2
We present a theoretical framework and implementation details for self-energy embedding theory (SEET) with the GW approximation for the treatment of weakly correlated degrees of fr…
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…
Generalized self-energy embedding theory
Tran Nguyen Lan, Dominika Zgid
Ab initio quantum chemistry calculations for systems with large active spaces are notoriously difficult and cannot be successfully tackled by standard methods. In this letter, we g…