67 citations · 145 across the 4 of their papers we have counts for
4 papers
Ground and excited energy levels can be extracted exactly from a single ensemble density-functional theory calculation
Killian Deur, Emmanuel Fromager
Gross-Oliveira-Kohn density-functional theory (GOK-DFT) for ensembles is the DFT analog of state-averaged wavefunction-based (SA-WF) methods. In GOK-DFT, the state-averaged (so-cal…
Exploring weight-dependent density-functional approximations for ensembles in the Hubbard dimer
Killian Deur, Laurent Mazouin, Bruno Senjean +1
Gross-Oliveira-Kohn density-functional theory (GOK-DFT) is an extension of DFT to excited states where the basic variable is the ensemble density, i.e. the weighted sum of ground-…
Combining extrapolation with ghost interaction correction in range-separated ensemble density functional theory for excited states
Md. Mehboob Alam, Killian Deur, Stefan Knecht +1
The extrapolation technique of Savin [J. Chem. Phys. 140, 18A509 (2014)], which was initially applied to range-separated ground-state-density-functional Hamiltonians, is adapted in…
Exact ensemble density functional theory for excited states in a model system: investigating the weight dependence of the correlation energy
Killian Deur, Laurent Mazouin, Emmanuel Fromager
Ensemble density functional theory (eDFT) is an exact time-independent alternative to time-dependent DFT (TD-DFT) for the calculation of excitation energies. Despite its formal sim…