III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -738.6018508 |
correlated core | -738.7139435 |
difference | -0.1120927 |
Energy (hartrees) | |
---|---|
frozen core | -738.6018508 |
correlated core | -738.7186547 |
difference | -0.1168039 |
Energy (hartrees) | |
---|---|
frozen core | -738.6069545 |
correlated core | -738.7139435 |
difference | -0.1069890 |
Energy (hartrees) | |
---|---|
frozen core | -738.6069545 |
correlated core | -738.7186547 |
difference | -0.1117002 |