III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -1403.8103532 |
correlated core | -1403.8312840 |
difference | -0.0209307 |
Energy (hartrees) | |
---|---|
frozen core | -1403.8103527 |
correlated core | -1403.8312840 |
difference | -0.0209313 |
Energy (hartrees) | |
---|---|
frozen core | -1403.8103532 |
correlated core | -1403.8312835 |
difference | -0.0209302 |
Energy (hartrees) | |
---|---|
frozen core | -1403.8103527 |
correlated core | -1403.8312835 |
difference | -0.0209307 |