244 citations · 2.2k across the 66 of their papers we have counts for
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Finite temperature quantum embedding theories for correlated systems
Dominika Zgid, Emanuel Gull
The cost of the exact solution of the many-electron problem is believed to be exponential in the number of degrees of freedom, necessitating approximations that are controlled and…
Rigorous ab initio quantum embedding for quantum chemistry using Green's function theory: screened interaction, non-local self-energy relaxation, orbital basis, and chemical accuracy
Tran Nguyen Lan, Alexei A. Kananenka, Dominika Zgid
We present a detailed discussion of self-energy embedding theory (SEET) which is a quantum embedding scheme allowing us to describe a chosen subsystem very accurately while keeping…
Exploring connections between statistical mechanics and Green's functions for realistic systems. Temperature dependent electronic entropy and internal energy from a self-consistent second-order Green's function
Alicia Rae Welden, Alexander A. Rusakov, Dominika Zgid
Including finite-temperature effects from the electronic degrees of freedom in electronic structure calculations of semiconductors and metals is desired; however, in practice it re…
Stochastic self-consistent Green's function second-order perturbation theory (sGF2)
Daniel Neuhauser, Roi Baer, Dominika Zgid
The second-order Green's function method (GF2) was shown recently to be an accurate self-consistent approach for electronic structure of correlated systems since the self-energy ac…
Efficient temperature-dependent Green's function methods for realistic systems: using cubic spline interpolation to approximate Matsubara Green's functions
Alexei A. Kananenka, Alicia Rae Welden, Tran Nguyen Lan +2
The popular, stable, robust and computationally inexpensive cubic spline interpolation algorithm is adopted and used for finite temperature Green's function calculations of realist…