Levels of symmetry adapted perturbation theory (SAPT). I. Efficiency and performance for interaction energies.
By Trent M. Parker, L. Burns, Robert M. Parrish, Alden G Ryno, C. David Sherrill. Journal of Chemical Physics, 2014
727 citations recorded by the source corpus.
Subfields: Atomic and Molecular Physics, and Optics, Organic Chemistry
View Paper: https://www.semanticscholar.org/paper/81ad10203cc70f41b04a11626ed6276f6b0f8d0e
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In Atomic and Molecular Physics, and Optics
In Organic Chemistry
Citations in the corpus
- Recent developments in symmetry‐adapted perturbation theory (2020, methodology): “In this case, the SAPT0/jun-cc-pVDZ and sSAPT0/jun-cc-pVDZ combinations have emerged as the optimal theory level and basis set choices that facilitate error cancellation.(92) The primary application of such an approximate energy decomposition is classifying different complexes according to their int”