III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G**
For ()Energy (hartrees) | |
---|---|
frozen core | -1923.5136601 |
correlated core | -1923.9212809 |
difference | -0.4076208 |
Energy (hartrees) | |
---|---|
frozen core | -1923.5136601 |
correlated core | -1923.9212809 |
difference | -0.4076208 |
Energy (hartrees) | |
---|---|
frozen core | -1923.5136601 |
correlated core | -1923.9212808 |
difference | -0.4076207 |
Energy (hartrees) | |
---|---|
frozen core | -1923.5136601 |
correlated core | -1923.9212808 |
difference | -0.4076207 |