III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G*
For ()Energy (hartrees) | |
---|---|
frozen core | -596.9220979 |
correlated core | -597.0800170 |
difference | -0.1579192 |
Energy (hartrees) | |
---|---|
frozen core | -596.9220979 |
correlated core | -597.0800170 |
difference | -0.1579192 |
Energy (hartrees) | |
---|---|
frozen core | -596.9539639 |
correlated core | -597.1119498 |
difference | -0.1579860 |
Energy (hartrees) | |
---|---|
frozen core | -596.9539639 |
correlated core | -597.1119498 |
difference | -0.1579859 |