III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G**
For ()Energy (hartrees) | |
---|---|
frozen core | -241.8862520 |
correlated core | -241.8949957 |
difference | -0.0087437 |
Energy (hartrees) | |
---|---|
frozen core | -241.8862520 |
correlated core | -241.8949957 |
difference | -0.0087437 |
Energy (hartrees) | |
---|---|
frozen core | -241.8862520 |
correlated core | -241.8949957 |
difference | -0.0087437 |
Energy (hartrees) | |
---|---|
frozen core | -241.8862520 |
correlated core | -241.8949957 |
difference | -0.0087437 |