III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G**
For ()Energy (hartrees) | |
---|---|
frozen core | -498.7137882 |
correlated core | -498.7285889 |
difference | -0.0148008 |
Energy (hartrees) | |
---|---|
frozen core | -498.7137882 |
correlated core | -498.7285889 |
difference | -0.0148008 |
Energy (hartrees) | |
---|---|
frozen core | -498.7137882 |
correlated core | -498.7285889 |
difference | -0.0148008 |
Energy (hartrees) | |
---|---|
frozen core | -498.7137882 |
correlated core | -498.7285889 |
difference | -0.0148008 |
Energy (hartrees) | |
---|---|
frozen core | -498.7137195 |
correlated core | -498.7285322 |
difference | -0.0148127 |