42 citations · 274 across the 18 of their papers we have counts for
4 papers · 1 filter
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…
Density sensitivity of empirical functionals
Suhwan Song, Stefan Vuckovic, Eunji Sim +1
Empirical fitting of parameters in approximate density functionals is common. Such fits conflate errors in the self-consistent density with errors in the energy functional, but den…
Quantifying and understanding errors in molecular geometries
Stefan Vuckovic, Kieron Burke
Electronic structure calculations are ubiquitous in most branches of chemistry, but all have errors in both energies and equilibrium geometries. Quantifying errors in possibly doze…
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…