Showing 1–20 of 38 results
/ Date/ Name
Apr 3, 2023Gaussian expansion of Yukawa non-local kinetic energy functionals: application to metal clustersJan 31, 2013Spin-dependent gradient correction for more accurate atomization energies of moleculesJul 13, 2015Accurate non-covalent interaction energies via an efficient MP2 scaling procedureOct 6, 2015Assessment of the TCA functional in computational chemistry and solid-state physicsMay 17, 2017Jellium-with-gap model applied to semilocal kinetic functionalsFeb 6, 2018Restoring size consistency of approximate functionals constructed from the adiabatic connectionAug 31, 2016Hartree potential dependent exchange functionalJan 8, 2015Global hybrids from the semiclassical atom theory satisfying the local density linear responseNov 14, 2014Kohn-Sham Kinetic Energy Density in the Nuclear and Asymptotic Regions: Deviations from the Von Weizsäcker Behavior and Applications to Density FunctionalsOct 19, 2018Investigation of the exchange-correlation potential of functionals based on the adiabatic connection interpolationNov 6, 2013A Density Difference Based Analysis of Orbital--Dependent Exchange--Correlation FunctionalsFeb 5, 2018Semilocal Pauli-Gaussian Kinetic Functionals for Orbital-Free Density Functional Theory Calculations of SolidsJan 25, 2016Semiclassical atom theory applied to solid-state physicsMar 31, 2016Kinetic and Exchange Energy Densities near the NucleusJan 24, 2013Testing the broad applicability of the PBEint GGA functional and its one-parameter hybrid formFeb 21, 2013Accuracy of basis-set extrapolation schemes for DFT-RPA correlation energies in molecular calculationsMar 18, 2014Laplacian-level kinetic energy approximations based on the fourth-order gradient expansion: Global assessment and application to the subsystem formulation of density functional theoryApr 14, 2014Generalized gradient approximation correlation energy functionals based on the uniform electron gas with gap modelAug 28, 2013Simple non-empirical procedure for spin-component-scaled MP2 methods applied to the calculation of dissociation energy curve of noncovalently-interacting systemsApr 16, 2013Accurate ionization potential of gold anionic clusters from density functional theory and many-body perturbation theory