III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -154.1418421 |
correlated core | -154.1457904 |
difference | -0.0039484 |
Energy (hartrees) | |
---|---|
frozen core | -154.1418421 |
correlated core | -154.1457904 |
difference | -0.0039484 |
Energy (hartrees) | |
---|---|
frozen core | -154.1418421 |
correlated core | -154.1457904 |
difference | -0.0039484 |
Energy (hartrees) | |
---|---|
frozen core | -154.1418421 |
correlated core | -154.1457904 |
difference | -0.0039484 |