48 citations · 157 across the 10 of their papers we have counts for
4 papers · 1 filter
Local density approximation in site-occupation embedding theory
Bruno Senjean, Masahisa Tsuchiizu, Vincent Robert +1
Site-occupation embedding theory (SOET) is a density-functional theory (DFT)-based method which aims at modelling strongly correlated electrons. It is in principle exact and applic…
Delocalization in Tight-Binding Hamiltonians: A Modified Coupled-Cluster Based Investigation
Arnaud Boullanger, Vincent Robert
The nature of delocalization in a 1D system ruled by a tight-binding Hamiltonian is investigated. Using a local evaluation of the ground state energy, it is shown that the range of…
Environment effects on effective magnetic exchange integrals and local spectroscopy of extended strongly correlated systems
Marie-Bernadette Lepetit, Nicolas Suaud, Alain Gelle +1
The present work analyzes the importance of the different components of the environment effects on the local spectroscopy of extended strongly correlated systems. It has been found…
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…