III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G**
For ()Energy (hartrees) | |
---|---|
frozen core | -199.6285638 |
correlated core | -199.7571544 |
difference | -0.1285906 |
Energy (hartrees) | |
---|---|
frozen core | -199.6285638 |
correlated core | -199.7571544 |
difference | -0.1285906 |
Energy (hartrees) | |
---|---|
frozen core | -199.6285638 |
correlated core | -199.7571544 |
difference | -0.1285906 |
Energy (hartrees) | |
---|---|
frozen core | -199.6285638 |
correlated core | -199.7571544 |
difference | -0.1285906 |