III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -150.1290363 |
correlated core | -150.1536201 |
difference | -0.0245838 |
Energy (hartrees) | |
---|---|
frozen core | -150.1290363 |
correlated core | -150.1536200 |
difference | -0.0245837 |
Energy (hartrees) | |
---|---|
frozen core | -150.1290361 |
correlated core | -150.1536201 |
difference | -0.0245840 |
Energy (hartrees) | |
---|---|
frozen core | -150.1290361 |
correlated core | -150.1536200 |
difference | -0.0245839 |