466 citations · 4.3k across the 81 of their papers we have counts for
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Basis set construction for molecular electronic structure theory: Natural orbital and Gauss-Slater basis for smooth pseudpotentials
F. R. Petruzielo, Julien Toulouse, C. J. Umrigar
A simple yet general method for constructing basis sets for molecular electronic structure calculations is presented. These basis sets consist of atomic natural orbitals from a mul…
Adiabatic-connection fluctuation-dissipation density-functional theory based on range separation
Julien Toulouse, Iann C. Gerber, Georg Jansen +2
An adiabatic-connection fluctuation-dissipation theorem approach based on a range separation of electron-electron interactions is proposed. It involves a rigorous combination of sh…
Short-range exchange-correlation energy of a uniform electron gas with modified electron-electron interaction
Julien Toulouse, Andreas Savin, Heinz-Jürgen Flad
We calculate the short-range exchange-correlation energy of the uniform electron gas with two modified electron-electron interactions. While the short-range exchange functionals ar…
Model hamiltonians in density functional theory
Paola Gori-Giorgi, Julien Toulouse, Andreas Savin
The formalism of Kohn and Sham uses a specific (model) hamiltonian which highly simplifies the many-electron problem to that of noninteracting fermions. The theorem of Hohenberg an…
Simple model of the static exchange-correlation kernel of a uniform electron gas with long-range electron-electron interaction
Julien Toulouse
A simple approximate expression in real and reciprocal spaces is given for the static exchange-correlation kernel of a uniform electron gas interacting with the long-range part onl…
Van der Waals forces in density functional theory: perturbational long-range electron interaction corrections
Janos G. Angyan, Iann C. Gerber, Andreas Savin +1
Long-range exchange and correlation effects, responsible for the failure of currently used approximate density functionals in describing van der Waals forces, are taken into accoun…