III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pV(T+d)Z
For ()Energy (hartrees) | |
---|---|
frozen core | -398.9058481 |
correlated core | -399.0069943 |
difference | -0.1011461 |
Energy (hartrees) | |
---|---|
frozen core | -398.9058481 |
correlated core | -399.0069943 |
difference | -0.1011461 |
Energy (hartrees) | |
---|---|
frozen core | -398.9058481 |
correlated core | -399.0069943 |
difference | -0.1011461 |
Energy (hartrees) | |
---|---|
frozen core | -398.9058481 |
correlated core | -399.0069942 |
difference | -0.1011460 |
Energy (hartrees) | |
---|---|
frozen core | -398.9058481 |
correlated core | -399.0069942 |
difference | -0.1011460 |
Energy (hartrees) | |
---|---|
frozen core | -398.9058481 |
correlated core | -399.0069942 |
difference | -0.1011460 |
Energy (hartrees) | |
---|---|
frozen core | -398.9058481 |
correlated core | -399.0069942 |
difference | -0.1011460 |
Energy (hartrees) | |
---|---|
frozen core | -398.9058481 |
correlated core | -399.0069942 |
difference | -0.1011460 |
Energy (hartrees) | |
---|---|
frozen core | -398.9058481 |
correlated core | -399.0069942 |
difference | -0.1011460 |