III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -579.1208766 |
correlated core | -579.2487358 |
difference | -0.1278592 |
Energy (hartrees) | |
---|---|
frozen core | -579.1507586 |
correlated core | -579.2719854 |
difference | -0.1212268 |
Energy (hartrees) | |
---|---|
frozen core | -579.1813260 |
correlated core | -579.3052643 |
difference | -0.1239384 |
Energy (hartrees) | |
---|---|
frozen core | -579.1657378 |
correlated core | -579.2892011 |
difference | -0.1234633 |