III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G*
For ()Energy (hartrees) | |
---|---|
frozen core | -417.6555719 |
correlated core | -417.7981660 |
difference | -0.1425942 |
Energy (hartrees) | |
---|---|
frozen core | -417.6555717 |
correlated core | -417.7981660 |
difference | -0.1425943 |
Energy (hartrees) | |
---|---|
frozen core | -417.6550891 |
correlated core | -417.7976687 |
difference | -0.1425797 |
Energy (hartrees) | |
---|---|
frozen core | -417.6550891 |
correlated core | -417.7976687 |
difference | -0.1425797 |