29 citations · 119 across the 13 of their papers we have counts for
4 papers · 1 filter
Local and global interpolations along the adiabatic connection of DFT: A study at different correlation regimes
Derk P. Kooi, Paola Gori-Giorgi
Interpolating the exchange-correlation energy along the density-fixed adiabatic connection of density functional theory is a promising way to build approximations that are not bias…
Large coupling-strength expansion of the Møller-Plesset adiabatic connection: From paradigmatic cases to variational expressions for the leading terms
Timothy J. Daas, Juri Grossi, Stefan Vuckovic +5
We study in detail the first three leading terms of the large coupling-strength limit of the adiabatic connection that has as weak-interaction expansion the Møller-Plesset perturba…
London dispersion forces without density distortion: a path to first principles inclusion in density functional theory
Derk P. Kooi, Paola Gori-Giorgi
We analyse a path to construct density functionals for the dispersion interaction energy from an expression in terms of the ground state densities and exchange-correlation holes of…
Dispersion without many-body density distortion: Assessment on atoms and small molecules
Derk P. Kooi, Timo Weckman, Paola Gori-Giorgi
We have implemented and tested the method we have recently proposed [J. Phys. Chem. Lett. 10, 1537 (2019)] to treat dispersion interactions, which is derived from a supramolecular…