Consistent structures and interactions by density functional theory with small atomic orbital basis sets.

By Stefan Grimme, J. Brandenburg, Christoph Bannwarth, Andreas Hansen. Journal of Chemical Physics, 2015

707 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Electrical and Electronic Engineering, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/a31d668c3a230713203bb1f5bd151ad00ee29790

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Atomic and Molecular Physics, and Optics

1. Konrad Patkowski
2. E. Hohenstein
3. L. Burns
4. Edward F. Valeev
5. Robert M. Parrish

In Materials Chemistry

1. Konrad Patkowski

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…”