III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -89.3758536 |
correlated core | -89.4009390 |
difference | -0.0250854 |
Energy (hartrees) | |
---|---|
frozen core | -89.3758536 |
correlated core | -89.4009390 |
difference | -0.0250853 |
Energy (hartrees) | |
---|---|
frozen core | -89.3758536 |
correlated core | -89.4009390 |
difference | -0.0250854 |
Energy (hartrees) | |
---|---|
frozen core | -89.3758536 |
correlated core | -89.4009390 |
difference | -0.0250854 |