III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31+G**
For ()Energy (hartrees) | |
---|---|
frozen core | -498.7179957 |
correlated core | -498.7334577 |
difference | -0.0154620 |
Energy (hartrees) | |
---|---|
frozen core | -498.7179957 |
correlated core | -498.7334577 |
difference | -0.0154620 |
Energy (hartrees) | |
---|---|
frozen core | -498.7179957 |
correlated core | -498.7334577 |
difference | -0.0154620 |
Energy (hartrees) | |
---|---|
frozen core | -498.7179957 |
correlated core | -498.7334577 |
difference | -0.0154620 |
Energy (hartrees) | |
---|---|
frozen core | -498.7179848 |
correlated core | -498.7334515 |
difference | -0.0154667 |