Abstract
Twelve multireference equivalents of the G2 and G3 methods using reduced Møller-Plesset orders were introduced. The performance of these equivalents was assessed on a slightly reduced G2-1 test set. It was shown that whereas single-reference Gn-type procedures aim to approximate large-basis-set QCISD(T) calculations through additivity approximations, the MR-Gn methods aim to approximate large-basis-set MRCI+Q results.
Original language | English |
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Pages (from-to) | 8758-8772 |
Number of pages | 15 |
Journal | Journal of Chemical Physics |
Volume | 115 |
Issue number | 19 |
DOIs | |
Publication status | Published - 15 Nov 2001 |