III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -78.9586167 |
correlated core | -78.9896390 |
difference | -0.0310222 |
Energy (hartrees) | |
---|---|
frozen core | -78.9586167 |
correlated core | -78.9896390 |
difference | -0.0310222 |
Energy (hartrees) | |
---|---|
frozen core | -78.9586167 |
correlated core | -78.9896390 |
difference | -0.0310223 |