III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -77.0929970 |
correlated core | -77.0982644 |
difference | -0.0052673 |
Energy (hartrees) | |
---|---|
frozen core | -77.0929970 |
correlated core | -77.0982644 |
difference | -0.0052673 |
Energy (hartrees) | |
---|---|
frozen core | -77.0929970 |
correlated core | -77.0982644 |
difference | -0.0052673 |
Energy (hartrees) | |
---|---|
frozen core | -77.0929970 |
correlated core | -77.0982644 |
difference | -0.0052673 |