Showing 1–19 of 19 results
/ Date/ Name
Aug 15, 2019Density functional analysis: The theory of density-corrected DFTMar 4, 2017Interpolated energy densities, correlation indicators and lower bounds from approximations to the strong coupling limit of DFTApr 22, 2022Density Functionals based on the mathematical structure of the strong-interaction limit of DFTMay 8, 2017Simple fully non-local density functionals for the electronic repulsion energyJan 17, 2020MAP: an MP2 accuracy predictor for weak interactions from adiabatic connection theoryJul 29, 2020Quantifying and understanding errors in molecular geometriesFeb 17, 2016Exchange-correlation functionals via local interpolation along the adiabatic connectionJul 31, 2017Augmented potential, energy densities, and virial relations in the weak- and strong-interaction limits of DFTJul 9, 2022Extending density functional theory with near chemical accuracy beyond pure waterSep 9, 2020Large coupling-strength expansion of the Møller-Plesset adiabatic connection: From paradigmatic cases to variational expressions for the leading termsMar 14, 2022Improving results by improving densities: Density-corrected density functional theoryOct 15, 2021Density-corrected DFT explained: Questions and answersApr 24, 2018Response potential in the strong-interaction limit of DFT: Analysis and comparison with the coupling-constant averageApr 10, 2021Noncovalent interactions from models for the Møller-Plesset adiabatic connectionOct 26, 2018Strong-interaction limit of an adiabatic connection in Hartree-Fock theoryAug 4, 2020Density sensitivity of empirical functionalsAug 7, 2015Challenging the Lieb-Oxford Bound in a systematic wayJul 6, 2023Regularized and Opposite spin-scaled functionals from Møller-Plesset adiabatic connection -- higher accuracy at lower costNov 26, 2025AI4X Roadmap: Artificial Intelligence for the advancement of scientific pursuit and its future directions