Curriculum Vitae
Publications
1) Bensberg M, Neugebauer J. Automatic basis-set adaptation in projection-based embedding. J. Chem. Phys. 2019, 150, 184104. doi: 10.1063/1.5084550 Erratum: J. Chem. Phys. 2019, 151, 139903.
2) Bensberg M, Neugebauer J. Direct orbital selection for projection-based embedding. J. Chem. Phys. 2019, 150, 214106.
3) Bensberg M, Neugebauer J. Orbital Alignment for Accurate Projection-Based Embedding Calculations along Reaction Paths. J. Chem. Theory Comput., 2020, 16, 3607-3619.
4) Bensberg M, Neugebauer J. Density functional theory based embedding approaches for transition-metal complexes. Phys. Chem. Chem. Phys., 2020, 22, 26093-26103.