III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pCVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -291.3607825 |
correlated core | -291.5643924 |
difference | -0.2036099 |
Energy (hartrees) | |
---|---|
frozen core | -291.3607824 |
correlated core | -291.5643924 |
difference | -0.2036100 |
Energy (hartrees) | |
---|---|
frozen core | -291.3607825 |
correlated core | -291.5643921 |
difference | -0.2036096 |
Energy (hartrees) | |
---|---|
frozen core | -291.3607824 |
correlated core | -291.5643921 |
difference | -0.2036098 |