III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -277.9020164 |
correlated core | -277.9680704 |
difference | -0.0660540 |
Energy (hartrees) | |
---|---|
frozen core | -277.9020164 |
correlated core | -277.9680704 |
difference | -0.0660540 |
Energy (hartrees) | |
---|---|
frozen core | -277.9034383 |
correlated core | -277.9696418 |
difference | -0.0662035 |
Energy (hartrees) | |
---|---|
frozen core | -277.9034383 |
correlated core | -277.9696418 |
difference | -0.0662035 |