Wavefunction methods for noncovalent interactions

By E. Hohenstein, C. David Sherrill. 2012

415 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Spectroscopy

View Paper: https://www.semanticscholar.org/paper/89d7a20cba41a716a3b00922355e8cfe6a793ea1

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. Georg Jansen
2. E. Hohenstein
3. C. David Sherrill
4. L. Burns
5. Edward F. Valeev
6. Robert M. Parrish
7. Konrad Patkowski

In Spectroscopy

1. Georg Jansen
2. C. David Sherrill
3. Edward F. Valeev

Citations in the corpus

• Symmetry‐adapted perturbation theory based on density functional theory for noncovalent interactions (2014, background): “(17), scaling like o3v3 ∼ N6 when matrix inversion is used (as we had in mind in the corresponding discussion in Ref 26) and as o2v2 ∼ N4 through iterative approaches, where v is a measure for the number of virtual orbitals.”
• Psi4: an open‐source ab initio electronic structure program (2012, methodology): “37 The largest computations performed with higher-order SAPT are SAPT2 + (3)/aug-cc-pVTZ computations on the adenine–thymine complex.”