Stefan Grimme

A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction

Effect of the damping function in dispersion corrected density functional theory

Accurate description of van der Waals complexes by density functional theory including empirical corrections

GFN2-xTB—An Accurate and Broadly Parametrized Self-Consistent Tight-Binding Quantum Chemical Method with Multipole Electrostatics and Density-Dependent Dispersion Contributions

Semiempirical hybrid density functional with perturbative second-order correlation

Density functional theory with London dispersion corrections

Automated exploration of the low-energy chemical space with fast quantum chemical methods

Supramolecular Binding Thermodynamics by Dispersion‐Corrected Density Functional Theory

A thorough benchmark of density functional methods for general main group thermochemistry, kinetics, and noncovalent interactions

A Robust and Accurate Tight-Binding Quantum Chemical Method for Structures, Vibrational Frequencies, and Noncovalent Interactions of Large Molecular Systems Parametrized for All spd-Block Elements (<i>Z</i> = 1–86)

A look at the density functional theory zoo with the advanced GMTKN55 database for general main group thermochemistry, kinetics and noncovalent interactions