97 citations · 1.1k across the 39 of their papers we have counts for
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physics.chem-ph2023
Regularized and Opposite spin-scaled functionals from Møller-Plesset adiabatic connection -- higher accuracy at lower cost
Kimberly J. Daas, Derk P. Kooi, Nina C. Peters +4
Non-covalent interactions (NCIs) play a crucial role in biology, chemistry, material science, and everything in between. To improve pure quantum-chemical simulations of NCIs, we pr…
physics.chem-ph2023
Gaussian expansion of Yukawa non-local kinetic energy functionals: application to metal clusters
F. Sarcinella, S. Śmiga, F. Della Sala +1
The development of kinetic energy (KE) functionals is one of the current challenges in density functional theory (DFT). The Yukawa non-local KE functionals [Phys. Rev. B 103, 15512…