III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -1194.0426081 |
correlated core | -1194.0744936 |
difference | -0.0318855 |
Energy (hartrees) | |
---|---|
frozen core | -1194.0426084 |
correlated core | -1194.0744936 |
difference | -0.0318852 |
Energy (hartrees) | |
---|---|
frozen core | -1194.0421265 |
correlated core | -1194.0740168 |
difference | -0.0318903 |