III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -40.4380984 |
correlated core | -40.4551006 |
difference | -0.0170022 |
Energy (hartrees) | |
---|---|
frozen core | -40.4380984 |
correlated core | -40.4551005 |
difference | -0.0170021 |
Energy (hartrees) | |
---|---|
frozen core | -40.4380983 |
correlated core | -40.4551006 |
difference | -0.0170022 |
Energy (hartrees) | |
---|---|
frozen core | -40.4380983 |
correlated core | -40.4551005 |
difference | -0.0170021 |