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4 papers · 2 filters
Airy, Beltrami, Maxwell, Morera, Einstein and Lanczos potentials revisited
Jean-François Pommaret
The main purpose of this paper is to revisit the well known potentials, called stress functions, needed in order to study the parametrizations of the stress equations, respectively…
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…
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…
Generalisation of the Eyring-Kramers transition rate formula to irreversible diffusion processes
Freddy Bouchet, Julien Reygner
In the small noise regime, the average transition time between metastable states of a reversible diffusion process is described at the logarithmic scale by Arrhenius' law. The Eyri…