2 citations · 2 across the 2 of their papers we have counts for
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Fast calculation of the electrostatic potential in ionic crystals by direct summation metho
Alain Gelle, Marie-Bernadette Lepetit
An efficient real space method is derived for the evaluation of the Madelung's potential of ionic crystals. The proposed method is an extension of the Evjen's method. It takes adva…
Magnetic Coupling and Long-Range Order in the Spin-Chain Sulphide Ba2cos3
Andrew D. J. Barnes, Thomas Baikie, Vincent Hardy +4
In this paper, we report on the magnetic properties of Ba2CoS3, a spin-chain compound recently found to be the first Co2+ containing one-dimensional sulphide to show metallic-like…
How to determine model Hamiltonians for strongly correlated materials
Marie-Bernadette Lepetit
The present paper reviews recent achievements on the ab initio determination of effective model Hamiltonians aimed at the description of strongly correlated materials. These models…
Magnetic ligands in the compound
Marie-Bernadette Lepetit, Vincent Robert
We report a reinterpretation of the electronic structure of the compound, based on {\em ab initio} embedded fragment calculations. Our major results are the follow…
Density-matrix renormalization study of the Hubbard model on a Bethe lattice
Marie-Bernadette Lepetit, Maixent Cousy, G. M. Pastor
The half-filled Hubbard model on the Bethe lattice with coordination number is studied using the density-matrix renormalization group (DMRG) method. Ground-state properties s…