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physics.chem-ph2005
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…
physics.chem-ph2004
Short-range exchange and correlation energy density functionals: beyond the local density approximation
Julien Toulouse, Francois Colonna, Andreas Savin
We propose approximations which go beyond the local density approximation for the short-range exchange and correlation density functionals appearing in a multi-determinantal extens…
physics.chem-ph2004
Long-range/short-range separation of the electron-electron interaction in density functional theory
Julien Toulouse, Francois Colonna, Andreas Savin
By splitting the Coulomb interaction into long-range and short-range components, we decompose the energy of a quantum electronic system into long-range and short-range contribution…