III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/6-311+G(3df,2p)
For ()Energy (hartrees) | |
---|---|
frozen core | -76.3316880 |
correlated core | -76.3549506 |
difference | -0.0232626 |
Energy (hartrees) | |
---|---|
frozen core | -76.3316880 |
correlated core | -76.3549507 |
difference | -0.0232626 |
Energy (hartrees) | |
---|---|
frozen core | -76.3316882 |
correlated core | -76.3549506 |
difference | -0.0232625 |
Energy (hartrees) | |
---|---|
frozen core | -76.3316882 |
correlated core | -76.3549507 |
difference | -0.0232625 |