III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pV(Q+d)Z
For ()Energy (hartrees) | |
---|---|
frozen core | -398.9572872 |
correlated core | -399.0832380 |
difference | -0.1259508 |
Energy (hartrees) | |
---|---|
frozen core | -398.9572872 |
correlated core | -399.0832380 |
difference | -0.1259509 |
Energy (hartrees) | |
---|---|
frozen core | -398.9572872 |
correlated core | -399.0832380 |
difference | -0.1259507 |
Energy (hartrees) | |
---|---|
frozen core | -398.9572872 |
correlated core | -399.0832380 |
difference | -0.1259508 |