III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G*
For ()Energy (hartrees) | |
---|---|
frozen core | -90.3380477 |
correlated core | -90.3720467 |
difference | -0.0339990 |
Energy (hartrees) | |
---|---|
frozen core | -90.3380477 |
correlated core | -90.3720467 |
difference | -0.0339990 |
Energy (hartrees) | |
---|---|
frozen core | -90.3380476 |
correlated core | -90.3720467 |
difference | -0.0339991 |
Energy (hartrees) | |
---|---|
frozen core | -90.3380477 |
correlated core | -90.3720467 |
difference | -0.0339990 |
Energy (hartrees) | |
---|---|
frozen core | -90.3380477 |
correlated core | -90.3720467 |
difference | -0.0339990 |
Energy (hartrees) | |
---|---|
frozen core | -90.3380476 |
correlated core | -90.3720467 |
difference | -0.0339991 |