Stefan Grimme

Research interests

Publications

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

  Journal of Chemical Theory and Computation · 2019 · https://doi.org/10.1021/acs.jctc.8b01176

• Effect of the damping function in dispersion corrected density functional theory

  Journal of Computational Chemistry · 2011 · https://doi.org/10.1002/jcc.21759

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

  The Journal of Chemical Physics · 2010 · https://doi.org/10.1063/1.3382344

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

  Journal of Computational Chemistry · 2006 · https://doi.org/10.1002/jcc.20495

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

  Journal of Computational Chemistry · 2004 · https://doi.org/10.1002/jcc.20078

Current projects

No projects listed.