III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/aug-cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -1923.7564722 |
correlated core | -1923.8292599 |
difference | -0.0727877 |
Energy (hartrees) | |
---|---|
frozen core | -1923.7564722 |
correlated core | -1923.8292599 |
difference | -0.0727877 |
Energy (hartrees) | |
---|---|
frozen core | -1923.7564722 |
correlated core | -1923.8292596 |
difference | -0.0727874 |
Energy (hartrees) | |
---|---|
frozen core | -1923.7564722 |
correlated core | -1923.8292596 |
difference | -0.0727874 |