III.G.10.a. |
Energy differences between frozen core and full core for MP3/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -90.3167137 |
correlated core | -90.3202416 |
difference | -0.0035279 |
Energy (hartrees) | |
---|---|
frozen core | -90.3176759 |
correlated core | -90.3202416 |
difference | -0.0025657 |
Energy (hartrees) | |
---|---|
frozen core | -90.3167137 |
correlated core | -90.3209839 |
difference | -0.0042702 |
Energy (hartrees) | |
---|---|
frozen core | -90.3176759 |
correlated core | -90.3209839 |
difference | -0.0033080 |
Energy (hartrees) | |
---|---|
frozen core | -90.3167137 |
correlated core | -90.3202416 |
difference | -0.0035279 |