III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G(2df,p)
For ()Energy (hartrees) | |
---|---|
frozen core | -599.7641760 |
correlated core | -599.7651537 |
difference | -0.0009777 |
Energy (hartrees) | |
---|---|
frozen core | -599.7641760 |
correlated core | -599.7651537 |
difference | -0.0009777 |
Energy (hartrees) | |
---|---|
frozen core | -599.7641760 |
correlated core | -599.7651537 |
difference | -0.0009778 |
Energy (hartrees) | |
---|---|
frozen core | -599.7641760 |
correlated core | -599.7651537 |
difference | -0.0009778 |