III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -76.2739036 |
correlated core | -76.2761522 |
difference | -0.0022486 |
Energy (hartrees) | |
---|---|
frozen core | -76.2739036 |
correlated core | -76.2761520 |
difference | -0.0022483 |
Energy (hartrees) | |
---|---|
frozen core | -76.2739034 |
correlated core | -76.2761522 |
difference | -0.0022488 |
Energy (hartrees) | |
---|---|
frozen core | -76.2739034 |
correlated core | -76.2761520 |
difference | -0.0022486 |