72 citations · 322 across the 28 of their papers we have counts for
6 papers · 1 filter
A unique one-body position operator for periodic systems
Stefano Evangelisti, Faten Abu-Shoga, Celestino Angeli +2
In this work we proof that the one-body position operator for periodic systems that we have recently proposed [Phys. Rev. B 99, 205144] is unique modulo a phase factor and an addit…
Photoemission spectra from the Extended Koopman's Theorem, revisited
S. Di Sabatino, J. Koskelo, J. Prodhon +3
The Extended Koopman's Theorem (EKT) provides a straightforward way to compute charged excitations from any level of theory. In this work we make the link with the many-body effect…
Clifford Boundary Conditions for Periodic Systems: the Madelung Constant of Cubic Crystals in 1, 2 and 3 Dimensions
Nicolas Tavernier, Gian Luigi Bendazzoli, Véronique Brumas +2
In this work we demonstrate the robustness of a real-space approach for the treatment of infinite systems described with periodic boundary conditions that we have recently proposed…
Wigner localization in two and three dimensions: an \emph{ab initio} approach
Miguel Escobar Azor, Estefania Alves, Stefano Evangelisti +1
In this work we investigate the Wigner localization of two interacting electrons at very low density in two and three dimensions using the exact diagonalization of the many-body Ha…
The localization spread and polarizability of rings and periodic chains
Celestino Angeli, Gian Luigi Bendazzoli, Stefano Evangelisti +1
The localization spread gives a criterion to decide between metallic versus insulating behaviour of a material. It is defined as the second moment cumulant of the many-body positio…
Accurate ground-state energies of Wigner crystals from a simple real-space approach
Estefania Alves, Gian Luigi Bendazzoli, Stefano Evangelisti +1
We propose a simple and efficient real-space approach for the calculation of the ground-state energies of Wigner crystals in 1, 2, and 3 dimensions. To be precise, we calculate the…