Assessment of the performance of MP2 and MP2 variants for the treatment of noncovalent interactions.

Abstract

For many years, MP2 served as the principal method for the treatment of noncovalent interactions. Until recently, this was the only technique that could be used to produce reasonably accurate binding energies, with binding energy errors generally below ~35%, at a reasonable computational cost. The past decade has seen the development of many new methods… (More)
DOI: 10.1021/jp211997b

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Cite this paper

@article{Riley2012AssessmentOT, title={Assessment of the performance of MP2 and MP2 variants for the treatment of noncovalent interactions.}, author={Kevin E. Riley and James A. Platts and Jan Řez{\'a}{\vc} and Pavel Hobza and J. Grant Hill}, journal={The journal of physical chemistry. A}, year={2012}, volume={116 16}, pages={4159-69} }