4 papers · 1 filter
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…
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…
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…