III.G.10.a. |
Energy differences between frozen core and full core for MP4/6-311G**
For ()Energy (hartrees) | |
---|---|
frozen core | -225.2405220 |
correlated core | -225.2971696 |
difference | -0.0566476 |
Energy (hartrees) | |
---|---|
frozen core | -225.2379933 |
correlated core | -225.2971696 |
difference | -0.0591763 |
Energy (hartrees) | |
---|---|
frozen core | -225.2405220 |
correlated core | -225.2945767 |
difference | -0.0540548 |
Energy (hartrees) | |
---|---|
frozen core | -225.2379933 |
correlated core | -225.2945767 |
difference | -0.0565835 |
Energy (hartrees) | |
---|---|
frozen core | -225.2405220 |
correlated core | -225.2971696 |
difference | -0.0566476 |