III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -417.5956278 |
correlated core | -417.6096421 |
difference | -0.0140143 |
Energy (hartrees) | |
---|---|
frozen core | -417.5956278 |
correlated core | -417.6096421 |
difference | -0.0140143 |
Energy (hartrees) | |
---|---|
frozen core | -417.5967255 |
correlated core | -417.6107223 |
difference | -0.0139968 |
Energy (hartrees) | |
---|---|
frozen core | -417.5967256 |
correlated core | -417.6107223 |
difference | -0.0139968 |