III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -1404.1086544 |
correlated core | -1404.2213586 |
difference | -0.1127042 |
Energy (hartrees) | |
---|---|
frozen core | -1404.1086539 |
correlated core | -1404.2213586 |
difference | -0.1127047 |
Energy (hartrees) | |
---|---|
frozen core | -1404.1086544 |
correlated core | -1404.2213579 |
difference | -0.1127035 |
Energy (hartrees) | |
---|---|
frozen core | -1404.1086539 |
correlated core | -1404.2213579 |
difference | -0.1127040 |