118 citations · 284 across the 26 of their papers we have counts for
6 papers · 1 filter
Some mathematical insights on Density Matrix Embedding Theory
Eric Cancès, Fabian M. Faulstich, Alfred Kirsch +2
This article provides the first mathematical analysis of the Density Matrix Embedding Theory (DMET) method. We prove that, under certain assumptions, (i) the exact ground-state den…
Coherent electronic transport in periodic crystals
Eric Cancès, Clotilde Fermanian Kammerer, Antoine Levitt +1
We consider independent electrons in a periodic crystal in their ground state, and turn on a uniform electric field at some prescribed time. We rigorously define the current per un…
Screening in the finite-temperature reduced Hartree-Fock model
Antoine Levitt
We prove the existence of solutions of the reduced Hartree-Fock equations at finite temperature for a periodic crystal with a small defect, and show total screening of the defect c…
Localised Wannier functions in metallic systems
Horia Cornean, David Gontier, Antoine Levitt +1
The existence and construction of exponentially localised Wannier functions for insulators is a well-studied problem. In comparison, the case of metallic systems has been much less…
Solutions of the multiconfiguration Dirac-Fock equations
Antoine Levitt
The multiconfiguration Dirac-Fock (MCDF) model uses a linear combination of Slater determinants to approximate the electronic -body wave function of a relativistic molecular sys…
Convergence of gradient-based algorithms for the Hartree-Fock equations
Antoine Levitt
The numerical solution of the Hartree-Fock equations is a central problem in quantum chemistry for which numerous algorithms exist. Attempts to justify these algorithms mathematica…