III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -353.3858393 |
correlated core | -353.3955605 |
difference | -0.0097211 |
Energy (hartrees) | |
---|---|
frozen core | -353.3858393 |
correlated core | -353.3955609 |
difference | -0.0097216 |
Energy (hartrees) | |
---|---|
frozen core | -353.3858394 |
correlated core | -353.3955605 |
difference | -0.0097211 |
Energy (hartrees) | |
---|---|
frozen core | -353.3858394 |
correlated core | -353.3955609 |
difference | -0.0097216 |