III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -79.6744447 |
correlated core | -79.7079263 |
difference | -0.0334816 |
Energy (hartrees) | |
---|---|
frozen core | -79.6744447 |
correlated core | -79.7079263 |
difference | -0.0334817 |
Energy (hartrees) | |
---|---|
frozen core | -79.6744447 |
correlated core | -79.7079264 |
difference | -0.0334817 |
Energy (hartrees) | |
---|---|
frozen core | -79.6744447 |
correlated core | -79.7079264 |
difference | -0.0334818 |
Energy (hartrees) | |
---|---|
frozen core | -79.6699786 |
correlated core | -79.7031860 |
difference | -0.0332074 |