III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31+G**
For ()Energy (hartrees) | |
---|---|
frozen core | -39.9037215 |
correlated core | -39.9086126 |
difference | -0.0048911 |
Energy (hartrees) | |
---|---|
frozen core | -39.8467598 |
correlated core | -39.8516904 |
difference | -0.0049306 |
Energy (hartrees) | |
---|---|
frozen core | -39.8978556 |
correlated core | -39.9028445 |
difference | -0.0049890 |