31 citations · 74 across the 5 of their papers we have counts for
5 papers
Assignment of excitonic insulators in \textit{ab initio} theories: the case of NiBr
Stefano Di Sabatino, Alejandro Molina-Sánchez, Pina Romaniello +1
In this work we perform a detailed first-principles analysis of the electronic and optical properties of NiBr within the state-of-the-art +BSE scheme to determine whether t…
Screened extended Koopmans' theorem: photoemission at weak and strong correlation
S. Di Sabatino, J. Koskelo, J. A. Berger +1
By introducing electron screening in the extended Koopmans' theorem we correctly describe the band gap opening in weakly as well as strongly correlated systems. We show this by app…
Introducing screening in one-body density matrix functionals: impact on the Extended Koopmans' Theorem's charged excitations of model systems
S. Di Sabatino, J. Koskelo, J. A. Berger +1
In this work we get insight into the impact of reduced density matrix functionals on the quality of removal/addition energies obtained using the Extended Koopmans' Theorem (EKT). W…
Photoemission Spectra from Reduced Density Matrices: the Band Gap in Strongly Correlated Systems
Stefano Di Sabatino, J. A. Berger, Lucia Reining +1
We present a method for the calculation of photoemission spectra in terms of reduced density matrices. We start from the spectral representation of the one-body Green's function G,…
Reduced Density-Matrix Functional Theory: correlation and spectroscopy
Stefano Di Sabatino, Jan A. Berger, Lucia Reining +1
In this work we explore the performance of approximations to electron correlation in reduced density-matrix functional theory (RDMFT) and of approximations to the observables calcu…