56 citations · 259 across the 34 of their papers we have counts for
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math-ph2015★ 11 cited
Supercell calculations in the reduced Hartree-Fock model for crystals with local defects
David Gontier, Salma Lahbabi
In this article, we study the speed of convergence of the supercell reduced Hartree-Fock~(rHF) model towards the whole space rHF model in the case where the crystal contains a loca…
math-ph2015★ 7 cited
A mathematical analysis of the GW0 method for computing electronic excited energies of molecules
Eric Cancès, David Gontier, Gabriel Stoltz
This paper analyses the GW method for finite electronic systems. In a first step, we provide a mathematical framework for the usual one-body operators that appear naturally in many…
math-ph2015★ 4 cited
Convergence rates of supercell calculations in the reduced Hartree-Fock model
David Gontier, Salma Lahbabi
This article is concerned with the numerical simulations of perfect crystals. We study the rate of convergence of the reduced Hartree-Fock (rHF) model in a supercell towards the pe…