III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -459.6766257 |
correlated core | -459.6824286 |
difference | -0.0058029 |
Energy (hartrees) | |
---|---|
frozen core | -459.6766257 |
correlated core | -459.6824284 |
difference | -0.0058027 |
Energy (hartrees) | |
---|---|
frozen core | -459.6766255 |
correlated core | -459.6824286 |
difference | -0.0058031 |
Energy (hartrees) | |
---|---|
frozen core | -459.6766255 |
correlated core | -459.6824284 |
difference | -0.0058029 |