III.G.10.a. |
Energy differences between frozen core and full core for CCSD/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -280.4975013 |
correlated core | -280.5606682 |
difference | -0.0631669 |
Energy (hartrees) | |
---|---|
frozen core | -280.4975014 |
correlated core | -280.5606682 |
difference | -0.0631668 |
Energy (hartrees) | |
---|---|
frozen core | -280.4975013 |
correlated core | -280.5606683 |
difference | -0.0631670 |
Energy (hartrees) | |
---|---|
frozen core | -280.4975014 |
correlated core | -280.5606683 |
difference | -0.0631669 |