III.G.10.a. |
Energy differences between frozen core and full core for CCSD/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -1998.2850797 |
correlated core | -1998.2938806 |
difference | -0.0088009 |
Energy (hartrees) | |
---|---|
frozen core | -1998.2850796 |
correlated core | -1998.2938806 |
difference | -0.0088010 |
Energy (hartrees) | |
---|---|
frozen core | -1998.2850797 |
correlated core | -1998.2938805 |
difference | -0.0088008 |
Energy (hartrees) | |
---|---|
frozen core | -1998.2850796 |
correlated core | -1998.2938805 |
difference | -0.0088009 |