III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311+G(3df,2p)
For ()Energy (hartrees) | |
---|---|
frozen core | -2076.5383740 |
correlated core | -2076.9806696 |
difference | -0.4422956 |
Energy (hartrees) | |
---|---|
frozen core | -2076.5383741 |
correlated core | -2076.9806696 |
difference | -0.4422955 |
Energy (hartrees) | |
---|---|
frozen core | -2076.5383740 |
correlated core | -2076.9806695 |
difference | -0.4422955 |
Energy (hartrees) | |
---|---|
frozen core | -2076.5383741 |
correlated core | -2076.9806695 |
difference | -0.4422954 |