Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5389771 | Chemical Physics Letters | 2006 | 5 Pages |
Abstract
The combination of correlation consistent basis sets and high level correlation treatment, such as provided by coupled cluster theory through single and double excitations with a quasi-perturbative treatment of triples, yields uniformly small errors with respect to experiment using statistics based on almost 300 molecules.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
David Feller, Kirk A. Peterson,