III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G**
For ()Energy (hartrees) | |
---|---|
frozen core | -2074.4336573 |
correlated core | -2074.4645227 |
difference | -0.0308654 |
Energy (hartrees) | |
---|---|
frozen core | -2074.4336573 |
correlated core | -2074.4645227 |
difference | -0.0308654 |
Energy (hartrees) | |
---|---|
frozen core | -2074.4336573 |
correlated core | -2074.4645226 |
difference | -0.0308653 |
Energy (hartrees) | |
---|---|
frozen core | -2074.4336573 |
correlated core | -2074.4645226 |
difference | -0.0308653 |