Table 5 Binding energy of methane dimer.
From: Exploring the promise and limitations of point-charge-free potentials for hydrocarbon modeling
Basis set | Binding energy (kJ/mol) | |
|---|---|---|
MP2 | CCSD(T) | |
aug-cc-pVQZ | -1.50 | -1.61 |
aug-cc-pVQZ-F12 | -1.32 | -1.48 |
From: Exploring the promise and limitations of point-charge-free potentials for hydrocarbon modeling
Basis set | Binding energy (kJ/mol) | |
|---|---|---|
MP2 | CCSD(T) | |
aug-cc-pVQZ | -1.50 | -1.61 |
aug-cc-pVQZ-F12 | -1.32 | -1.48 |
