III.G.10.a. |
Energy differences between frozen core and full core for CCSD/TZVP
For ()Energy (hartrees) | |
---|---|
frozen core | -139.6385549 |
correlated core | -139.6910336 |
difference | -0.0524788 |
Energy (hartrees) | |
---|---|
frozen core | -139.6385547 |
correlated core | -139.6910336 |
difference | -0.0524789 |
Energy (hartrees) | |
---|---|
frozen core | -139.6385549 |
correlated core | -139.6910335 |
difference | -0.0524786 |
Energy (hartrees) | |
---|---|
frozen core | -139.6385547 |
correlated core | -139.6910335 |
difference | -0.0524788 |