788 citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Centre National de la Recherche ScientifiqueFR248 papers
- Sorbonne UniversitéFR144 papers
- Université Pierre-et-Marie-CurieFR57 papers
- Institut Universitaire de FranceFR39 papers
- Institut Camille JordanFR37 papers
- Université de LorraineFR34 papers
- Laboratoire de Physique et Chimie ThéoriquesFR24 papers
- Laboratoire Jacques-Louis LionsFR24 papers
- Laboratoire de Chimie et Physique QuantiquesFR19 papers
- Qubit PharmaceuticalsFR19 papers
- The University of Texas at AustinUS19 papers
- Université Paris CitéFR18 papers
18 papers · 1 filter
Van der Waals interaction between a moving nano-cylinder and a liquid thin film
René Ledesma-Alonso, Elie Raphaël, Thomas Salez +2
We study the static and dynamic interaction between a horizontal cylindrical nano-probe and a thin liquid film. The effects of the physical and geometrical parameters, with a speci…
Stability of sulphur dimers S2 in cometary ices
O. Mousis, O. Ozgurel, J. I. Lunine +5
S2 has been observed for decades in comets, including comet 67P/Churyumov-Gerasimenko. Despite the fact that this molecule appears ubiquitous in these bodies, the nature of its sou…
Méthode de Mahler, transcendance et relations linéaires : aspects effectifs
Boris Adamczewski, Colin Faverjon
This note deals with some effective results in Mahler's method. In a recent work, we used a theorem of Philippon to show that given a Mahler function in , wher…
Smooth models for the Coulomb potential
Cristina E. González-Espinoza, Paul. W Ayers, Jacek Karwowski +1
Smooth model potentials with parameters selected to reproduce the spectrum of one-electron atoms are used to approximate the singular Coulomb potential. Even when the potentials do…
Nitrile versus isonitrile adsorption at interstellar grains surfaces: I - Hydroxylated surfaces
Mathieu Bertin, Mikhaïl Doronin, Jean-Hugues Fillion +7
Almost 20% of the ~ 200 different species detected in the interstellar and circumstellar media present a carbon atom linked to nitrogen by a triple bond. Among these 37 molecules,…
Thermodynamic bounds on equilibrium fluctuations of a global or local order parameter
J. Guioth, D. Lacoste
We analyze thermodynamic bounds on equilibrium fluctuations of an order parameter, which are analogous to relations, which have been derived recently in the context of non-equilibr…
Theory of Gas Phase Scattering and Reactivity for Astrochemistry
Laurent Wiesenfeld, Wing-Fai Thi, Paola Caselli +13
Because of the very peculiar conditions of chemistry in many astrophysical gases (low densities, mostly low temperatures, kinetics-dominated chemical evolution), great efforts have…
A numerical note on upper bounds for b 2 [g] sets
Laurent Habsieger, Alain Plagne
Sidon sets are those sets such that the sums of two of its elements never coincide. They go back to the 30s when Sidon asked for the maximal size of a subset of consecutive integer…
Monochromatic factorisations of words and periodicity
Caïus Wojcik, Luca Q. Zamboni
In 2006 T. Brown asked the following question: Given a non-periodic infinite word with values in a non-empty set does there exist a finite colorin…
Spooky correlations and unusual van der Waals forces between gapless and near-gapless molecules
John F. Dobson, Andreas Savin, Janos G. Angyan +1
We consider the zero-temperature van der Waals interaction between two molecules, each of which has a zero or near-zero electronic gap between a groundstate and the first excited s…
Fractional-charge and fractional-spin errors in range-separated density-functional theory
Bastien Mussard, Julien Toulouse
We investigate fractional-charge and fractional-spin errors in range-separated density-functional theory. Specifically, we consider the range-separated hybrid (RSH) method which co…
Self-consistent double-hybrid density-functional theory using the optimized-effective-potential method
Szymon Smiga, Odile Franck, Bastien Mussard +4
We introduce an orbital-optimized double-hybrid (DH) scheme using the optimized-effective-potential (OEP) method. The orbitals are optimized using a local potential corresponding t…
Groupes de Galois motivques et périodes
Yves André
In the mid sixties, A. Grothendieck envisioned a vast generalization of Galois theory to systems of polynomials in several variables, motivic Galois theory, and introduced tannakia…
Origin of molecular oxygen in Comet 67P/Churyumov-Gerasimenko
O. Mousis, T. Ronnet, B. Brugger +13
Molecular oxygen has been detected in the coma of comet 67P/Churyumov-Gerasimenko with abundances in the 1-10% range by the ROSINA-DFMS instrument on board the Rosetta spacecraft.…
Dielectric matrix formulation of correlation energies in the Random Phase Approximation (RPA): inclusion of exchange effects
Bastien Mussard, Dario Rocca, Georg Jansen +1
Starting from the general expression for the ground state correlation energy in the adiabatic connection fluctuation dissipation theorem (ACFDT) framework, it is shown that the die…
Simple formalism for efficient derivatives and multi-determinant expansions in quantum Monte Carlo
Claudia Filippi, Roland Assaraf, Saverio Moroni
We present a simple and general formalism to compute efficiently the derivatives of a multi-determinant Jastrow-Slater wave function, the local energy, the interatomic forces, and…
Gaussian continuum basis functions for calculating high-harmonic generation spectra
Emanuele Coccia, Bastien Mussard, Marie Labeye +4
We explore the computation of high-harmonic generation spectra by means of Gaussian basis sets in approaches propagating the time-dependent Schr{ö}dinger equation. We investigate t…
Exchange-correlation functionals via local interpolation along the adiabatic connection
Stefan Vuckovic, Tom Irons, Andreas Savin +2
The construction of density-functional approximations is explored by modeling the adiabatic connection em locally, using energy densities defined in terms of the electrostatic pote…