III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G*
For ()Energy (hartrees) | |
---|---|
frozen core | -99.8012509 |
correlated core | -99.8368362 |
difference | -0.0355852 |
Energy (hartrees) | |
---|---|
frozen core | -99.8012509 |
correlated core | -99.8368362 |
difference | -0.0355852 |
Energy (hartrees) | |
---|---|
frozen core | -99.8012509 |
correlated core | -99.8368362 |
difference | -0.0355852 |
Energy (hartrees) | |
---|---|
frozen core | -99.8012509 |
correlated core | -99.8368362 |
difference | -0.0355852 |
Energy (hartrees) | |
---|---|
frozen core | -99.8012509 |
correlated core | -99.8368362 |
difference | -0.0355852 |
Energy (hartrees) | |
---|---|
frozen core | -99.8012509 |
correlated core | -99.8368362 |
difference | -0.0355852 |