III.G.10.a. |
Energy differences between frozen core and full core for MP2/STO-3G
For ()Energy (hartrees) | |
---|---|
frozen core | -528.3791704 |
correlated core | -528.3792844 |
difference | -0.0001140 |
Energy (hartrees) | |
---|---|
frozen core | -528.3791704 |
correlated core | -528.3792844 |
difference | -0.0001140 |
Energy (hartrees) | |
---|---|
frozen core | -528.3791703 |
correlated core | -528.3792844 |
difference | -0.0001140 |