III.G.10.a. |
Energy differences between frozen core and full core for MP4/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -459.1437893 |
correlated core | -459.1488629 |
difference | -0.0050737 |
Energy (hartrees) | |
---|---|
frozen core | -459.1437893 |
correlated core | -459.1488629 |
difference | -0.0050737 |
Energy (hartrees) | |
---|---|
frozen core | -459.1437893 |
correlated core | -459.1488629 |
difference | -0.0050737 |
Energy (hartrees) | |
---|---|
frozen core | -459.1437893 |
correlated core | -459.1488629 |
difference | -0.0050737 |