output
19962026
most citedPropulsion of a molecular machine by asymmetric distribution of reaction--products

788 citations

researchers with a paper here

Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

collaborating institutions
Showing 2013Show all

6 papers · 1 filter

physics.chem-ph2013★ 41 cited

Double-hybrid density-functional theory with meta-generalized-gradient approximations

Sidi Ould Souvi, Kamal Sharkas, Julien Toulouse

We extend the previously proposed one-parameter double-hybrid density-functional theory [K. Sharkas, J. Toulouse, and A. Savin, J. Chem. Phys. 134, 064113 (2011)] to meta-generaliz…

physics.chem-ph2013★ 42 cited

Alternative separation of exchange and correlation energies in multi-configuration range-separated density-functional theory

Alexandrina Stoyanova, Andrew M. Teale, Julien Toulouse +2

The alternative separation of exchange and correlation energies proposed by Toulouse et al. [Theor. Chem. Acc. 114, 305 (2005)] is explored in the context of multi-configuration ra…

cond-mat.soft2013★ 1 cited

Capillary leveling of stepped films with inhomogeneous molecular mobility

Joshua D. McGraw, Thomas Salez, Oliver Bäumchen +2

A homogeneous thin polymer film with a stepped height profile levels due to the presence of Laplace pressure gradients. Here we report on studies of polymeric samples with precisel…

physics.chem-ph2013★ 22 cited

Assessment of range-separated time-dependent density-functional theory for calculating C6 dispersion coefficients

Julien Toulouse, Elisa Rebolini, Tim Gould +3

We assess a variant of linear-response range-separated time-dependent density-functional theory (TDDFT), combining a long-range Hartree-Fock (HF) exchange kernel with a short-range…

physics.chem-ph2013★ 28 cited

Electronic excitations from a linear-response range-separated hybrid scheme

Elisa Rebolini, Andreas Savin, Julien Toulouse

We study linear-response time-dependent density-functional theory (DFT) based on the single-determinant range-separated hybrid (RSH) scheme, i.e. combining a long-range Hartree-Foc…

physics.chem-ph2013★ 5 cited

Electronic excitation energies of molecular systems from the Bethe-Salpeter equation: Example of the H2 molecule

Elisa Rebolini, Julien Toulouse, Andreas Savin

We review the Bethe-Salpeter equation (BSE) approach to the calculation of electronic excitation energies of molecular systems. We recall the general Green's function many-theory f…