III.G.10.a. |
Energy differences between frozen core and full core for MP4/6-311G**
For ()Energy (hartrees) | |
---|---|
frozen core | -498.7963246 |
correlated core | -498.8646240 |
difference | -0.0682994 |
Energy (hartrees) | |
---|---|
frozen core | -498.7963246 |
correlated core | -498.8646240 |
difference | -0.0682994 |
Energy (hartrees) | |
---|---|
frozen core | -498.7963054 |
correlated core | -498.8646110 |
difference | -0.0683056 |