Corrected small basis set Hartree‐Fock method for large systems
By Rebecca Sure, Stefan Grimme. Journal of Computational Chemistry, 2013
443 citations recorded by the source corpus.
Subfields: Atomic and Molecular Physics, and Optics, Spectroscopy
View Paper: https://www.semanticscholar.org/paper/4a01273040c777c07e952e7f62b3979f03dd8a5a
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In Atomic and Molecular Physics, and Optics
- Stefan Grimme
- Christoph Bannwarth
- Konrad Patkowski
- Andreas Hansen
- Sebastian Ehlert
- Philipp Pracht
- Eike Caldeweyher
- L. Burns
In Spectroscopy
- Andreas Hansen
- Stefan Grimme
- Christoph Bannwarth
- Philipp Pracht
- Sebastian Ehlert
- Edward F. Valeev
- Konrad Patkowski
- Neil Qiang Su
Citations in the corpus
- Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability (2017, background): “67,68 69–72 Within PCM, the mutual solute-solvent polarization is represented by an apparent surface charge σ spread over the cavity boundary and computed as the unique solution to the integral equation associated to the classical Poisson problem, 73 Tσ = − ℛφ , where the definition of the…”
- Extended tight‐binding quantum chemistry methods (2020, background): “The last term in Equation (45) is the short-range bond correction, similar to the “short-range basis” corrections in the HF-3c and B97-3c methods.(8,10)”