III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -534.7352502 |
correlated core | -534.8275249 |
difference | -0.0922747 |
Energy (hartrees) | |
---|---|
frozen core | -534.7352499 |
correlated core | -534.8275249 |
difference | -0.0922750 |
Energy (hartrees) | |
---|---|
frozen core | -534.7352502 |
correlated core | -534.8275247 |
difference | -0.0922745 |
Energy (hartrees) | |
---|---|
frozen core | -534.7352499 |
correlated core | -534.8275247 |
difference | -0.0922749 |