III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31+G**
For ()Energy (hartrees) | |
---|---|
frozen core | -25.1844420 |
correlated core | -25.1885258 |
difference | -0.0040838 |
Energy (hartrees) | |
---|---|
frozen core | -25.1844420 |
correlated core | -25.1885260 |
difference | -0.0040840 |
Energy (hartrees) | |
---|---|
frozen core | -25.1844421 |
correlated core | -25.1885258 |
difference | -0.0040837 |
Energy (hartrees) | |
---|---|
frozen core | -25.1844421 |
correlated core | -25.1885260 |
difference | -0.0040839 |