Search Results for author: Eleonora Luppi

Found 3 papers, 0 papers with code

Self-consistent double-hybrid density-functional theory using the optimized-effective-potential method

no code implementations19 Jul 2016 Szymon Smiga, Odile Franck, Bastien Mussard, Adam Buksztel, Ireneusz Grabowski, Eleonora Luppi, Julien Toulouse

We introduce an orbital-optimized double-hybrid (DH) scheme using the optimized-effective-potential (OEP) method.

Chemical Physics Computational Physics

Gaussian continuum basis functions for calculating high-harmonic generation spectra

no code implementations23 Feb 2016 Emanuele Coccia, Bastien Mussard, Marie Labeye, Jérémie Caillat, Richard Taïeb, Julien Toulouse, Eleonora Luppi

We explore the computation of high-harmonic generation spectra by means of Gaussian basis sets in approaches propagating the time-dependent Schr{\"o}dinger equation.

Computational Physics Atomic Physics Chemical Physics

Basis convergence of range-separated density-functional theory

no code implementations8 Dec 2014 Odile Franck, Bastien Mussard, Eleonora Luppi, Julien Toulouse

The strategy of range-separated density-functional theory consists in separating the Coulomb electron-electron interaction into long-range and short-range components, and treating the long-range part by an explicit many-body wave-function method and the short-range part by a density-functional approximation.

Chemical Physics Computational Physics

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