III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -2077.0841140 |
correlated core | -2077.1731969 |
difference | -0.0890830 |
Energy (hartrees) | |
---|---|
frozen core | -2077.0841140 |
correlated core | -2077.1731969 |
difference | -0.0890830 |
Energy (hartrees) | |
---|---|
frozen core | -2077.0841140 |
correlated core | -2077.1731969 |
difference | -0.0890830 |
Energy (hartrees) | |
---|---|
frozen core | -2077.0841140 |
correlated core | -2077.1731969 |
difference | -0.0890830 |