72 citations · 232 across the 17 of their papers we have counts for
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physics.chem-ph2018★ 18 cited
Quantum chemistry with Coulomb Sturmians: Construction and convergence of Coulomb Sturmian basis sets at Hartree-Fock level
Michael F. Herbst, James Emil Avery, Andreas Dreuw
The first discussion of basis sets consisting of exponentially decaying Coulomb Sturmian functions for modelling electronic structures is presented. The proposed basis set construc…
physics.chem-ph2018★ 12 cited
Towards quantum-chemical method development for arbitrary basis functions
Michael F. Herbst, Andreas Dreuw, James Emil Avery
We present the design of a flexible quantum-chemical method development framework, which supports employing any type of basis function. This design has been implemented in the ligh…