III.G.10.a. |
Energy differences between frozen core and full core for MP2/TZVP
For ()Energy (hartrees) | |
---|---|
frozen core | -579.0586134 |
correlated core | -579.1244798 |
difference | -0.0658664 |
Energy (hartrees) | |
---|---|
frozen core | -579.0905013 |
correlated core | -579.1568333 |
difference | -0.0663319 |
Energy (hartrees) | |
---|---|
frozen core | -579.1185453 |
correlated core | -579.1854702 |
difference | -0.0669250 |
Energy (hartrees) | |
---|---|
frozen core | -579.1029213 |
correlated core | -579.1695729 |
difference | -0.0666516 |