Abstract
We test the scaling-all-correlation (SAC) method with Møller-Plesset second-order perturbation theory (MP2-SAC), the coupled-cluster approximation with double substitutions (CCD-SAC), and quadratic configuration interaction with singles and doubles (QCISD-SAC) with various choices of basis set. The CCD-SAC and QCISD-SAC methods lead to good accuracy with an average scaling factor and are recommended when affordable, and for practical work it is useful to note that the MP2-SAC method with a parabolic fit to the scaling factor outperforms the more expensive CCD-SAC and QCISD-SAC methods with the same basis and averaged scaling factors.
Original language | English (US) |
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Pages (from-to) | 64-70 |
Number of pages | 7 |
Journal | Chemical Physics Letters |
Volume | 234 |
Issue number | 1-3 |
DOIs | |
State | Published - Mar 3 1995 |
Bibliographical note
Funding Information:The research leading to these results was partly funded from the European Community's Seventh Framework Programme (FP7/2007-2013) under grant agreement 213845 (the EMIME project http://www.emime.org).