III.G.10.a. |
Energy differences between frozen core and full core for CCSD/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -2075.2041788 |
correlated core | -2075.2544659 |
difference | -0.0502871 |
Energy (hartrees) | |
---|---|
frozen core | -2075.2041788 |
correlated core | -2075.2544669 |
difference | -0.0502881 |
Energy (hartrees) | |
---|---|
frozen core | -2075.2041798 |
correlated core | -2075.2544659 |
difference | -0.0502861 |
Energy (hartrees) | |
---|---|
frozen core | -2075.2041798 |
correlated core | -2075.2544669 |
difference | -0.0502871 |