III.G.10.a. |
Energy differences between frozen core and full core for CCSD/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -39.0400514 |
correlated core | -39.0419232 |
difference | -0.0018718 |
Energy (hartrees) | |
---|---|
frozen core | -39.0400514 |
correlated core | -39.0419232 |
difference | -0.0018718 |
Energy (hartrees) | |
---|---|
frozen core | -39.0291253 |
correlated core | -39.0310205 |
difference | -0.0018952 |