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

788 citations

Showing 2005Show all

6 papers · 1 filter

cond-mat.mtrl-sci2005★ 78 cited

Properties of short-range and long-range correlation energy density functionals from electron-electron coalescence

Paola Gori-Giorgi, Andreas Savin

The combination of density functional theory with other approaches to the many-electron problem through the separation of the electron-electron interaction into a short-range and a…

cond-mat.mtrl-sci2005★ 21 cited

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…

cond-mat.mtrl-sci2005★ 324 cited

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…

physics.chem-ph2005★ 16 cited

Exchange-correlation potentials and local energies per particle along non-linear adiabatic connections

Julien Toulouse, Francois Colonna, Andreas Savin

We study non-linear adiabatic connection paths in density-functional theory using modified electron-electron interactions that perform a long-range/short-range separation of the Co…

cond-mat.stat-mech2005★ 18 cited

Monte Carlo algorithms for charged lattice gases

L. Levrel, A. C. Maggs

We consider Monte Carlo algorithms for the simulation of charged lattice gases with purely local dynamics. We study the mobility of particles as a function of temperature and show…

cond-mat.mtrl-sci2005★ 30 cited

System-adapted correlation energy density functionals from effective pair interactions

Paola Gori-Giorgi, Andreas Savin

We present and discuss some ideas concerning an ``average-pair-density functional theory'', in which the ground-state energy of a many-electron system is rewritten as a functional…