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cond-mat.mtrl-sci2024★ 1 cited
Green/WeakCoupling: Implementation of fully self-consistent finite-temperature many-body perturbation theory for molecules and solids
Sergei Iskakov, Chia-Nan Yeh, Pavel Pokhilko +10
The accurate ab initio simulation of molecules and periodic solids with diagrammatic perturbation theory is an important task in quantum chemistry, condensed matter physics, and ma…
cond-mat.mtrl-sci2018
Effect of propagator renormalization on the band gap of insulating solids
Sergei Iskakov, Alexander A. Rusakov, Dominika Zgid +1
We present momentum-resolved spectral functions and band gaps from bare and self-consistent second-order perturbation theory for insulating periodic solids. We establish that, for…