Describing Noncovalent Interactions beyond the Common Approximations: How Accurate Is the "Gold Standard," CCSD(T) at the Complete Basis Set Limit?
By Jan Rezác, Pavel Hobza. Journal of Chemical Theory and Computation, 2013
428 citations recorded by the source corpus.
Subfields: Atomic and Molecular Physics, and Optics, Computational Theory and Mathematics, Physical and Theoretical Chemistry
View Paper: https://www.semanticscholar.org/paper/41fd07178651a6c397af99ee9dab65daeaa7ee54
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In Atomic and Molecular Physics, and Optics
In Computational Theory and Mathematics
In Physical and Theoretical Chemistry
Citations in the corpus
- Explicitly correlated local coupled‐cluster methods using pair natural orbitals (2018, methodology): “CCSD(T)/CBS is widely considered as an appropriate method for such calculations, since the residual errors from neglected higher-order excitations and core correlation effects were found be very small, at least for small systems.(248) For larger systems, where accurate canonical CCSD(T) calculations”