III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G
For ()Energy (hartrees) | |
---|---|
frozen core | -152.2397027 |
correlated core | -152.2418170 |
difference | -0.0021142 |
Energy (hartrees) | |
---|---|
frozen core | -152.2397027 |
correlated core | -152.2418170 |
difference | -0.0021143 |
Energy (hartrees) | |
---|---|
frozen core | -152.2397027 |
correlated core | -152.2418170 |
difference | -0.0021142 |
Energy (hartrees) | |
---|---|
frozen core | -152.2397027 |
correlated core | -152.2418170 |
difference | -0.0021142 |