III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G*
For ()Energy (hartrees) | |
---|---|
frozen core | -114.1441944 |
correlated core | -114.1811376 |
difference | -0.0369432 |
Energy (hartrees) | |
---|---|
frozen core | -114.1441943 |
correlated core | -114.1811376 |
difference | -0.0369433 |
Energy (hartrees) | |
---|---|
frozen core | -114.1413794 |
correlated core | -114.1783936 |
difference | -0.0370141 |