14 citations · 29 across the 10 of their papers we have counts for
12 papers
Electronic structure models with 2D symmetries in the presence of magnetic fields
Carlos J. Garcia-Cervera, Salma Lahbabi, Abdallah Maichine
In this work, we characterize self-adjoint operators that commute with magnetic translations. We use this characterization to derive effective kinetic energy functionals for homoge…
Existence and non-existence of minimizers for a multi-particle model with concave nonlinearity
David Gontier, Salma Lahbabi, Simona Rota Nodari
We study a multi--particle model including a kinetic energy and a non linear local self-interaction, both in the bosonic and fermionic cases. In both cases, we prove that the model…
On Density Functional Theory models for one-dimensional homogeneous materials
Bouchra Bensiali, Salma Lahbabi, Abdallah Maichine +1
This paper studies DFT models for homogeneous 1D materials in the 3D space. It follows our previous work about DFT models for homogeneous 2D materials in 3D. We show how to reduce…
Homogenization of 2D materials in the Thomas-Fermi-von Weizsacker theory
Saad Benjelloun, Salma Lahbabi, Abdelqoddous Moussa
We study the homogenization of the Thomas-Fermi-von Weizsacker (TFW) model for 2D materials. It consists in considering 2D-periodic nuclear densities with periods going to zero. We…
Stability of the one electron atom Schrödinger model with magnetic field in two dimensions
Ayoub Arraji, Saad Benjelloun, Salma Lahbabi
We study the stability of the one electron atom Schrödinger model with self-generated magnetic field in two dimensions. The magnetic energy is taken of the general form $K\int_{\ma…
Density functional theory for homogeneous two dimensional materials with magnetic fields
David Gontier, Salma Lahbabi, Abdallah Maichine
This paper studies DFT models for homogeneous 2D materials in 3D space, under a constant perpendicular magnetic field. We show how to reduce the three--dimensional energy functiona…
Density Functional Theory for two-dimensional homogeneous materials
David Gontier, Salma Lahbabi, Abdallah Maichine
We study Density Functional Theory models for systems which are translationally invariant in some directions, such as a homogeneous 2-d slab in the 3-d space. We show how the diffe…
The reduced Hartree-Fock model with self-generated magnetic fields
David Gontier, Salma Lahbabi
We study the well-posedness of the reduced Hartree-Fock model for molecules and perfect crystals when taking into account a self-generated magnetic field. We exhibit a critical val…
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…
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…
The reduced Hartree-Fock model for short-range quantum crystals with defects
Salma Lahbabi
In this article, we consider quantum crystals with defects in the reduced Hartree-Fock framework. The nuclei are supposed to be classical particles arranged around a reference peri…
Mean-field models for disordered crystals
Eric Cancès, Salma Lahbabi, Mathieu Lewin
In this article, we set up a functional setting for mean-field electronic structure models of Hartree-Fock or Kohn-Sham types for disordered crystals. The electrons are quantum par…