III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G
For ()Energy (hartrees) | |
---|---|
frozen core | -2074.2549592 |
correlated core | -2074.2674893 |
difference | -0.0125302 |
Energy (hartrees) | |
---|---|
frozen core | -2074.2549591 |
correlated core | -2074.2674893 |
difference | -0.0125302 |
Energy (hartrees) | |
---|---|
frozen core | -2074.2549592 |
correlated core | -2074.2674893 |
difference | -0.0125301 |
Energy (hartrees) | |
---|---|
frozen core | -2074.2549591 |
correlated core | -2074.2674893 |
difference | -0.0125302 |