III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31+G**
For ()Energy (hartrees) | |
---|---|
frozen core | -148.3250912 |
correlated core | -148.3378385 |
difference | -0.0127473 |
Energy (hartrees) | |
---|---|
frozen core | -148.3250356 |
correlated core | -148.3378385 |
difference | -0.0128029 |
Energy (hartrees) | |
---|---|
frozen core | -148.3250356 |
correlated core | -148.3378385 |
difference | -0.0128029 |