III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -76.2413050 |
correlated core | -76.2434049 |
difference | -0.0020999 |
Energy (hartrees) | |
---|---|
frozen core | -76.2413050 |
correlated core | -76.2434048 |
difference | -0.0020998 |
Energy (hartrees) | |
---|---|
frozen core | -76.2413048 |
correlated core | -76.2434049 |
difference | -0.0021002 |
Energy (hartrees) | |
---|---|
frozen core | -76.2413048 |
correlated core | -76.2434048 |
difference | -0.0021001 |