III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -99.5545928 |
correlated core | -99.5566556 |
difference | -0.0020629 |
Energy (hartrees) | |
---|---|
frozen core | -99.5545928 |
correlated core | -99.5566556 |
difference | -0.0020629 |
Energy (hartrees) | |
---|---|
frozen core | -99.5545928 |
correlated core | -99.5566556 |
difference | -0.0020629 |
Energy (hartrees) | |
---|---|
frozen core | -99.5545928 |
correlated core | -99.5566556 |
difference | -0.0020629 |