82 citations · 362 across the 7 of their papers we have counts for
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physics.chem-ph2018★ 74 cited
Semiempirical Molecular Orbital Models based on the Neglect of Diatomic Differential Overlap Approximation
Tamara Husch, Alain C. Vaucher, Markus Reiher
Semiempirical molecular orbital (SEMO) models based on the neglect of diatomic differential overlap (NDDO) approximation efficiently solve the self-consistent field equations by ra…
physics.chem-ph2018★ 38 cited
Comprehensive Analysis of the Neglect of Diatomic Differential Overlap Approximation
Tamara Husch, Markus Reiher
Many modern semiempirical molecular orbital models are built on the neglect of diatomic differential overlap (NDDO) approximation. An in-depth understanding of this approximation i…
physics.chem-ph2018★ 82 cited
Calculation of Ligand Dissociation Energies in Large Transition-Metal Complexes
Tamara Husch, Leon Freitag, Markus Reiher
Despite the importance of ligand dissociation energies for computational chemistry, obtaining accurate ab initio reference data is difficult and density-functional methods of uncer…