III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -26.4867300 |
correlated core | -26.4888981 |
difference | -0.0021681 |
Energy (hartrees) | |
---|---|
frozen core | -26.4867300 |
correlated core | -26.4888983 |
difference | -0.0021682 |
Energy (hartrees) | |
---|---|
frozen core | -26.4867300 |
correlated core | -26.4888981 |
difference | -0.0021681 |
Energy (hartrees) | |
---|---|
frozen core | -26.4867300 |
correlated core | -26.4888983 |
difference | -0.0021682 |