III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -488.6802088 |
correlated core | -488.7874701 |
difference | -0.1072613 |
Energy (hartrees) | |
---|---|
frozen core | -488.6802088 |
correlated core | -488.7874701 |
difference | -0.1072613 |
Energy (hartrees) | |
---|---|
frozen core | -488.6802088 |
correlated core | -488.7874701 |
difference | -0.1072613 |
Energy (hartrees) | |
---|---|
frozen core | -488.6802088 |
correlated core | -488.7874701 |
difference | -0.1072613 |