III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -299.1838540 |
correlated core | -299.2456600 |
difference | -0.0618060 |
Energy (hartrees) | |
---|---|
frozen core | -299.1838541 |
correlated core | -299.2456600 |
difference | -0.0618060 |
Energy (hartrees) | |
---|---|
frozen core | -299.1838540 |
correlated core | -299.2456605 |
difference | -0.0618064 |
Energy (hartrees) | |
---|---|
frozen core | -299.1838541 |
correlated core | -299.2456605 |
difference | -0.0618064 |