III.G.10.a. |
Energy differences between frozen core and full core for MP4/aug-cc-pVTZ
For (methyl amine)Energy (hartrees) | |
---|---|
frozen core | -74.9750686 |
correlated core | -74.9893243 |
difference | -0.0142557 |
Energy (hartrees) | |
---|---|
frozen core | -74.9779075 |
correlated core | -74.9893243 |
difference | -0.0114168 |
Energy (hartrees) | |
---|---|
frozen core | -74.9750686 |
correlated core | -74.9893243 |
difference | -0.0142557 |
Energy (hartrees) | |
---|---|
frozen core | -74.9779075 |
correlated core | -74.9893243 |
difference | -0.0114168 |