102 citations · 1.1k across the 44 of their papers we have counts for
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Double hybrid density-functional theory using the Coulomb-attenuating method
Yann Cornaton, Emmanuel Fromager
A double hybrid approximation using the Coulomb-attenuating method (CAM-DH) is derived within range-separated density-functional perturbation theory, in the spirit of a recent work…
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…
Assessment of Charge-Transfer Excitations in Organic Dyes obtained from TD-srDFT Based on Long-Range MP2 and MCSCF Wave Functions
Erik D. Hedegård, Frank Heiden, Stefan Knecht +2
Charge transfer excitations can be described within TD-DFT, not only by means of long-range corrected exchange functionals but also with a combination of wave function theory and T…
Generalized adiabatic connection in ensemble density-functional theory for excited states: example of the H2 molecule
Odile Franck, Emmanuel Fromager
A generalized adiabatic connection for ensembles (GACE) is presented. In contrast to the traditional adiabatic connection formulation, both ensemble weights and interaction strengt…
Alternative separation of exchange and correlation energies in range-separated density-functional perturbation theory
Yann Cornaton, Alexandrina Stoyanova, Hans Jørgen Aa. Jensen +1
An alternative separation of short-range exchange and correlation energies is used in the framework of second-order range-separated density-functional perturbation theory. This alt…
Analysis of double hybrid density-functionals along the adiabatic connection
Yann Cornaton, Odile Franck, Andrew M. Teale +1
We present a graphical analysis of the adiabatic connections underlying double-hybrid density-functional methods that employ second-order perturbation theory. Approximate adiabatic…