1 citations · 1 across the 3 of their papers we have counts for
4 papers
Kohn-Sham models for encapsulated two-dimensional materials
Éric Cancès, David Gontier, Solal Perrin-Roussel
We study Kohn-Sham Density Functional Theory (DFT) models describing the electronic structure of two-dimensional materials placed in a three-dimensional environment, encapsulated b…
Fully guaranteed and computable error bounds on the energy for periodic Kohn-Sham equations with convex density functionals
Andrea Bordignon, Geneviève Dusson, Éric Cancès +3
In this article, we derive fully guaranteed error bounds for the energy of convex nonlinear mean-field models. These results apply in particular to Kohn-Sham equations with convex…
Van der Waals interactions between two hydrogen atoms: The next orders
Éric Cancès, Rafaël Coyaud, L. Ridgway Scott
We extend a method (E. Cancès and L.R. Scott, SIAM J. Math. Anal., 50, 2018, 381--410) to compute more terms in the asymptotic expansion of the van der Waals attraction between two…
A reduced Hartree-Fock model of slice-like defects in the Fermi sea
Éric Cancès, Ling-Ling Cao, Gabriel Stoltz
Studying the electronic structure of defects in materials is an important subject in condensed matter physics. From a mathematical point of view, nonlinear mean-field models of loc…