441 citations · 2.6k across the 77 of their papers we have counts for
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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…
Kohn-Sham equations with functionals from the strictly-correlated regime: Investigation with a spectral renormalization method
Juri Grossi, Ziad H. Musslimani, Michael Seidl +1
We re-adapt a spectral renormalization method, introduced in nonlinear optics, to solve the Kohn-Sham (KS) equations of density functional theory (DFT), with a focus on functionals…
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…
MAP: an MP2 accuracy predictor for weak interactions from adiabatic connection theory
Stefan Vuckovic, Eduardo Fabiano, Paola Gori-Giorgi +1
Second order Møller-Plesset perturbation theory (MP2) approximates the exact Hartree-Fock (HF) adiabatic connection (AC) curve by a straight line. Thus by using the deviation of th…