In the complete-basis-set (CBS) model chemistries, an interference correction is added to the total energy. It is added because the CBS-type extrapolation to the basis-set limit of second-order Møller-Plesset (MP2) perturbation theory usually overestimates the magnitude of the basis-set truncation error at higher levels of electron-correlation treatment. In this Letter, the question is pursued whether the CBS-type interference correction could also improve the computational results when the MP2 basis set limit is approached by means of explicitly-correlated MP2 theory using Slater-type geminals.
|Original language||English (US)|
|Number of pages||5|
|Journal||Chemical Physics Letters|
|State||Published - Feb 8 2011|
Bibliographical noteFunding Information:
This work has been supported by the Deutsche Forschungsgemeinschaft (DFG) through the Center for Functional Nanostructures (CFN, Project No. C3.3). The work of W.K. was carried out during a sabbatical at the Centre for Theoretical and Computational Chemistry (CTCC) at Oslo University. W.K. thanks Professor Trygve Helgaker for discussions and for his kind hospitality at the CTCC.