III.G.10.a. |
Energy differences between frozen core and full core for MP4/6-311+G(3df,2p)
For ()Energy (hartrees) | |
---|---|
frozen core | -74.9683216 |
correlated core | -74.9931592 |
difference | -0.0248376 |
Energy (hartrees) | |
---|---|
frozen core | -74.9709351 |
correlated core | -74.9931592 |
difference | -0.0222241 |
Energy (hartrees) | |
---|---|
frozen core | -74.9683216 |
correlated core | -74.9931592 |
difference | -0.0248376 |
Energy (hartrees) | |
---|---|
frozen core | -74.9709351 |
correlated core | -74.9931592 |
difference | -0.0222241 |