III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -39.0197809 |
correlated core | -39.0217805 |
difference | -0.0019996 |
Energy (hartrees) | |
---|---|
frozen core | -39.0197809 |
correlated core | -39.0217805 |
difference | -0.0019996 |
Energy (hartrees) | |
---|---|
frozen core | -39.0197809 |
correlated core | -39.0217805 |
difference | -0.0019996 |
Energy (hartrees) | |
---|---|
frozen core | -39.0197809 |
correlated core | -39.0217805 |
difference | -0.0019996 |
Energy (hartrees) | |
---|---|
frozen core | -39.0078130 |
correlated core | -39.0098500 |
difference | -0.0020370 |