Normal distributions of errors of the extrapolated basis set limits of the MP2 correlation energies as a function of the data fitted . These limits are obtained from the two-parameter fits with the form using the MP2-F12/B data with (solid lines) and the conventional MP2 data with (dotted lines). The errors are indicated in percentage as the portions of the correlation energies from FEM-MP2.
Geometrical parameters for , , , , and
RHF and MP2 energies (the correlation energies are given as deviations from the reference FEM-MP2 energies. , , and for He, Ne, and Ar, respectively (Ref. 2), i.e., and ) (in ) for He, Ne, and Ar.
Estimated basis-set-limit MP2 correlation energies (in ).
Total energies (in ) by RHF, conventional MP2, , and MP2-F12/B.
Valence MP2 correlation energies [the correlation energies are given as deviations from the best estimates: (the extrapolated MP2-F12/B at in Table III), i.e., and ] (in ) for , , , , and .
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