Assessment of the MP2 method, along with several basis sets, for the computation of interaction energies of biologically relevant hydrogen bonded and dispersion bound complexes

The performance of the MP2 method, when paired with several different medium and extended basis sets, is assessed for the accurate computations of binding energies of hydrogen bonded and dispersion bound biologically derived complexes. It is shown that generally the MP2 technique, when paired with any basis set, does not yield reliable results for cyclic hydrogen bonds such as those seen in nucleic acid base pairs.