III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G*
For ()Energy (hartrees) | |
---|---|
frozen core | -92.6898513 |
correlated core | -92.7263096 |
difference | -0.0364583 |
Energy (hartrees) | |
---|---|
frozen core | -92.6898512 |
correlated core | -92.7263096 |
difference | -0.0364584 |
Energy (hartrees) | |
---|---|
frozen core | -92.6898513 |
correlated core | -92.7263096 |
difference | -0.0364583 |
Energy (hartrees) | |
---|---|
frozen core | -92.6898512 |
correlated core | -92.7263096 |
difference | -0.0364584 |