Comparison of G4(MP3) and G4(MP2) methods with previous methods.
Relative CPU times used in G3, G3(MP2), G4, and G4(MP2) single point energy calculations (from single processor times).
Comparison of extrapolation of HF energies for the test set.
Extrapolation of energies to HF limit: comparison with the 4,5 extrapolation for the test set (in kcal/mol).
Comparison of G4, G4(MP3), and G4(MP2) average absolute deviations with and without core correlation (CC). (Results are for the G3/05 test set and in each case the HLC was reoptimized.)
Results for hexavalent sulfur species.
Use of geometries and zero-point energies in G4(MP2) theory.
Basis sets used in single point HF energy calculations G4(MP2) and G4(MP3) theories.
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