Andreas Hansen

Efficient, approximate and parallel Hartree–Fock and hybrid DFT calculations. A ‘chain-of-spheres’ algorithm for the Hartree–Fock exchange

Frank Neese, Frank Wennmohs, Andreas Hansen et al. · Chemical Physics · 2008 · 2.9K citations

Quantum Science, Engineering, Physics +8

Natural triple excitations in local coupled cluster calculations with pair natural orbitals

Christoph Riplinger, Barbara Sandhoefer, Andreas Hansen et al. · The Journal of Chemical Physics · 2013 · 1.8K citations

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

Lars Goerigk, Andreas Hansen, Christoph Bauer et al. · Physical Chemistry Chemical Physics · 2017 · 1.8K citations · Full text

Gmtkn55 Benchmark Database, Chemical Thermodynamics, Engineering +14

A generally applicable atomic-charge dependent London dispersion correction

Eike Caldeweyher, Sebastian Ehlert, Andreas Hansen et al. · The Journal of Chemical Physics · 2019 · 1.7K citations

D4 Model, Engineering, London Dispersion Interactions +16

Extended <scp>tight‐binding</scp> quantum chemistry methods

Christoph Bannwarth, Eike Caldeweyher, Sebastian Ehlert et al. · Wiley Interdisciplinary Reviews Computational Molecular Science · 2020 · 1.4K citations · Full text

Electron Density, Molecular Dynamics, Engineering +13