Orientations for (a) the sandwich benzene dimer and (b) the methane dimer.
Potential energy curves with the aug-cc-pVTZ basis set for the sandwich benzene dimer. Coupled-cluster methods estimated via an addition of the difference between MP2 and coupled-cluster correlation energies with the aug-cc-pVDZ basis set to the MP2/aug-cc-pVTZ energies. Energies are counterpoise corrected.
Potential energy curves at the CBS limit for the methane dimer. Energies are counterpoise corrected.
CCSD(T) reaction energies and errors for other methods compared to CCSD(T), all evaluated with the cc-pVQZ basis set. All energies and errors in .
Experimental atomization energies and method errors all evaluated with the cc-pVQZ basis set. CCSD(T)/cc-pVQZ optimized structures. Energies and errors in .
Correlation methods in comparison to estimated CCSD(T) values. Energies in and distances in angstroms (Å).
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