III.G.10.a. |
Energy differences between frozen core and full core for CCSD/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -277.6225376 |
correlated core | -277.6310853 |
difference | -0.0085477 |
Energy (hartrees) | |
---|---|
frozen core | -277.6225376 |
correlated core | -277.6310853 |
difference | -0.0085477 |
Energy (hartrees) | |
---|---|
frozen core | -277.6227128 |
correlated core | -277.6312758 |
difference | -0.0085631 |
Energy (hartrees) | |
---|---|
frozen core | -277.6227128 |
correlated core | -277.6312758 |
difference | -0.0085631 |