III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/6-311+G(3df,2pd)
For ()Energy (hartrees) | |
---|---|
frozen core | -99.6176917 |
correlated core | -99.6409037 |
difference | -0.0232120 |
Energy (hartrees) | |
---|---|
frozen core | -99.6176917 |
correlated core | -99.6409037 |
difference | -0.0232120 |
Energy (hartrees) | |
---|---|
frozen core | -99.6176917 |
correlated core | -99.6409037 |
difference | -0.0232120 |
Energy (hartrees) | |
---|---|
frozen core | -99.6176917 |
correlated core | -99.6409037 |
difference | -0.0232120 |