Frank Neese
Max Planck Society(DE)Max-Planck-Institut für Kohlenforschung(DE)
Publications by Year
Research Areas
Magnetism in coordination complexes, Advanced Chemical Physics Studies, Metal-Catalyzed Oxygenation Mechanisms, X-ray Diffraction in Crystallography, Crystallization and Solubility Studies
Most-Cited Works
- → The ORCA program system(2011)12,641 cited
- → Software update: the ORCA program system, version 4.0(2017)5,653 cited
- → The ORCA quantum chemistry program package(2020)4,729 cited
- → Software update: The ORCA program system—Version 5.0(2022)4,173 cited
- → Efficient, approximate and parallel Hartree–Fock and hybrid DFT calculations. A ‘chain-of-spheres’ algorithm for the Hartree–Fock exchange(2008)2,888 cited
- → An efficient and near linear scaling pair natural orbital based local coupled cluster method(2013)1,908 cited
- → Natural triple excitations in local coupled cluster calculations with pair natural orbitals