III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G**
For ()Energy (hartrees) | |
---|---|
frozen core | -77.1112429 |
correlated core | -77.1483940 |
difference | -0.0371511 |
Energy (hartrees) | |
---|---|
frozen core | -77.1112429 |
correlated core | -77.1483939 |
difference | -0.0371511 |
Energy (hartrees) | |
---|---|
frozen core | -77.1112428 |
correlated core | -77.1483940 |
difference | -0.0371512 |
Energy (hartrees) | |
---|---|
frozen core | -77.1112428 |
correlated core | -77.1483939 |
difference | -0.0371511 |