III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -579.1607297 |
correlated core | -579.2798215 |
difference | -0.1190917 |
Energy (hartrees) | |
---|---|
frozen core | -579.1942425 |
correlated core | -579.3098064 |
difference | -0.1155639 |
Energy (hartrees) | |
---|---|
frozen core | -579.2223060 |
correlated core | -579.3392281 |
difference | -0.1169221 |
Energy (hartrees) | |
---|---|
frozen core | -579.2064540 |
correlated core | -579.3232852 |
difference | -0.1168312 |