III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -299.1796597 |
correlated core | -299.2390588 |
difference | -0.0593991 |
Energy (hartrees) | |
---|---|
frozen core | -299.1796597 |
correlated core | -299.2390588 |
difference | -0.0593991 |
Energy (hartrees) | |
---|---|
frozen core | -299.1796597 |
correlated core | -299.2390592 |
difference | -0.0593996 |
Energy (hartrees) | |
---|---|
frozen core | -299.1796597 |
correlated core | -299.2390592 |
difference | -0.0593996 |