III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -452.3994730 |
correlated core | -452.4873528 |
difference | -0.0878798 |
Energy (hartrees) | |
---|---|
frozen core | -452.3994730 |
correlated core | -452.4873528 |
difference | -0.0878799 |
Energy (hartrees) | |
---|---|
frozen core | -452.3994730 |
correlated core | -452.4873533 |
difference | -0.0878803 |
Energy (hartrees) | |
---|---|
frozen core | -452.3994730 |
correlated core | -452.4873533 |
difference | -0.0878803 |