III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G
For ()Energy (hartrees) | |
---|---|
frozen core | -2397.6231090 |
correlated core | -2397.6342741 |
difference | -0.0111651 |
Energy (hartrees) | |
---|---|
frozen core | -2397.6231090 |
correlated core | -2397.6342742 |
difference | -0.0111652 |
Energy (hartrees) | |
---|---|
frozen core | -2397.6231092 |
correlated core | -2397.6342741 |
difference | -0.0111649 |
Energy (hartrees) | |
---|---|
frozen core | -2397.6231092 |
correlated core | -2397.6342742 |
difference | -0.0111650 |