466 citations · 2.4k across the 48 of their papers we have counts for
4 papers · 2 filters
Excitation energies along a range-separated adiabatic connection
Elisa Rebolini, Julien Toulouse, Andrew M. Teale +2
We present a study of the variation of total energies and excitationenergies along a range-separated adiabatic connection. This connectionlinks the non-interacting Kohn-Sham electr…
Excited states from range-separated density-functional perturbation theory
Elisa Rebolini, Julien Toulouse, Andrew M. Teale +2
We explore the possibility of calculating electronic excited states by using perturbation theory along a range-separated adiabatic connection. Starting from the energies of a parti…
Maximum probability domains for the analysis of the microscopic structure of liquids
Federica Agostini, Giovanni Ciccotti, Andreas Savin +1
We introduce the concept of maximum probability domains (MPDs), developed in the context of the analysis of electronic densities, in the study of the microscopic spatial structures…
Range-separated density-functional theory with random phase approximation applied to noncovalent intermolecular interactions
Wuming Zhu, Julien Toulouse, Andreas Savin +1
Range-separated methods combining a short-range density functional with long-range random phase approximations RPAs with or without exchange response kernel are tested on rare-gas…