III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -459.1920907 |
correlated core | -459.2536741 |
difference | -0.0615834 |
Energy (hartrees) | |
---|---|
frozen core | -459.1920907 |
correlated core | -459.2536742 |
difference | -0.0615834 |
Energy (hartrees) | |
---|---|
frozen core | -459.1920906 |
correlated core | -459.2536741 |
difference | -0.0615835 |
Energy (hartrees) | |
---|---|
frozen core | -459.1920906 |
correlated core | -459.2536742 |
difference | -0.0615835 |