III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -1923.3646603 |
correlated core | -1923.4097954 |
difference | -0.0451351 |
Energy (hartrees) | |
---|---|
frozen core | -1923.3646603 |
correlated core | -1923.4097954 |
difference | -0.0451351 |
Energy (hartrees) | |
---|---|
frozen core | -1923.3646603 |
correlated core | -1923.4097954 |
difference | -0.0451351 |
Energy (hartrees) | |
---|---|
frozen core | -1923.3646603 |
correlated core | -1923.4097954 |
difference | -0.0451351 |