III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G**
For ()Energy (hartrees) | |
---|---|
frozen core | -2076.8368622 |
correlated core | -2077.2320043 |
difference | -0.3951421 |
Energy (hartrees) | |
---|---|
frozen core | -2076.8368622 |
correlated core | -2077.2320043 |
difference | -0.3951420 |
Energy (hartrees) | |
---|---|
frozen core | -2076.8368622 |
correlated core | -2077.2320043 |
difference | -0.3951421 |
Energy (hartrees) | |
---|---|
frozen core | -2076.8368622 |
correlated core | -2077.2320043 |
difference | -0.3951420 |