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20042023
most citedLong-range/short-range separation of the electron-electron interaction in density functional theory

466 citations · 4.3k across the 81 of their papers we have counts for

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Showing 2006Show all

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physics.chem-ph2006

A short-range correlation energy density functional with multi-determinantal reference

Julien Toulouse, Paola Gori-Giorgi, Andreas Savin

We introduce a short-range correlation density functional defined with respect to a multi-determinantal reference which is meant to be used in a multi-determinantal extension of th…

cond-mat.mtrl-sci2006

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…

cond-mat.other2006

Alleviation of the Fermion-sign problem by optimization of many-body wave functions

C. J. Umrigar, Julien Toulouse, Claudia Filippi +2

We present a simple, robust and highly efficient method for optimizing all parameters of many-body wave functions in quantum Monte Carlo calculations, applicable to continuum syste…

physics.chem-ph2006

Local density approximation for long-range or for short-range energy functionals?

Julien Toulouse, Andreas Savin

Density functional methods were developed, in which the Coulomb electron-electron interaction is split into a long- and a short-range part. In such methods, one term is calculated…

physics.chem-ph2006★ 28 cited

Scaling relations, virial theorem and energy densities for long-range and short-range density functionals

Julien Toulouse, Paola Gori-Giorgi, Andreas Savin

We analyze a decomposition of the Coulomb electron-electron interaction into a long-range and a short-range part in the framework of density functional theory, deriving some scalin…

cond-mat.mtrl-sci2006

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…