III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G**
For ()Energy (hartrees) | |
---|---|
frozen core | -113.8327539 |
correlated core | -113.8697820 |
difference | -0.0370281 |
Energy (hartrees) | |
---|---|
frozen core | -113.8327539 |
correlated core | -113.8697820 |
difference | -0.0370281 |
Energy (hartrees) | |
---|---|
frozen core | -113.8327539 |
correlated core | -113.8697820 |
difference | -0.0370281 |
Energy (hartrees) | |
---|---|
frozen core | -113.8327539 |
correlated core | -113.8697820 |
difference | -0.0370281 |