III.G.10.a. |
Energy differences between frozen core and full core for MP2/daug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -79.6359611 |
correlated core | -79.6742216 |
difference | -0.0382605 |
Energy (hartrees) | |
---|---|
frozen core | -79.6359610 |
correlated core | -79.6742216 |
difference | -0.0382606 |
Energy (hartrees) | |
---|---|
frozen core | -79.6359611 |
correlated core | -79.6742201 |
difference | -0.0382590 |
Energy (hartrees) | |
---|---|
frozen core | -79.6359610 |
correlated core | -79.6742201 |
difference | -0.0382591 |