III.G.10.a. |
Energy differences between frozen core and full core for CCSD/cc-pCVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -398.9311647 |
correlated core | -399.2602880 |
difference | -0.3291233 |
Energy (hartrees) | |
---|---|
frozen core | -398.9311647 |
correlated core | -399.2602880 |
difference | -0.3291233 |
Energy (hartrees) | |
---|---|
frozen core | -398.9311647 |
correlated core | -399.2602880 |
difference | -0.3291233 |
Energy (hartrees) | |
---|---|
frozen core | -398.9311647 |
correlated core | -399.2602880 |
difference | -0.3291233 |