III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -225.3389973 |
correlated core | -225.3775034 |
difference | -0.0385061 |
Energy (hartrees) | |
---|---|
frozen core | -225.3389973 |
correlated core | -225.3790338 |
difference | -0.0400365 |
Energy (hartrees) | |
---|---|
frozen core | -225.3408228 |
correlated core | -225.3775034 |
difference | -0.0366806 |
Energy (hartrees) | |
---|---|
frozen core | -225.3408228 |
correlated core | -225.3790338 |
difference | -0.0382110 |
Energy (hartrees) | |
---|---|
frozen core | -225.3389970 |
correlated core | -225.3775035 |
difference | -0.0385064 |