III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -225.4467972 |
correlated core | -225.5378330 |
difference | -0.0910358 |
Energy (hartrees) | |
---|---|
frozen core | -225.4415372 |
correlated core | -225.5378330 |
difference | -0.0962958 |
Energy (hartrees) | |
---|---|
frozen core | -225.4467972 |
correlated core | -225.5325301 |
difference | -0.0857330 |
Energy (hartrees) | |
---|---|
frozen core | -225.4415372 |
correlated core | -225.5325301 |
difference | -0.0909930 |
Energy (hartrees) | |
---|---|
frozen core | -225.4467967 |
correlated core | -225.5378325 |
difference | -0.0910358 |