III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G**
For ()Energy (hartrees) | |
---|---|
frozen core | -589.1677250 |
correlated core | -589.1833855 |
difference | -0.0156605 |
Energy (hartrees) | |
---|---|
frozen core | -589.1677250 |
correlated core | -589.1833855 |
difference | -0.0156605 |
Energy (hartrees) | |
---|---|
frozen core | -589.1677250 |
correlated core | -589.1833856 |
difference | -0.0156607 |
Energy (hartrees) | |
---|---|
frozen core | -589.1677250 |
correlated core | -589.1833856 |
difference | -0.0156607 |