III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/aug-cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -1923.4527120 |
correlated core | -1923.5190771 |
difference | -0.0663651 |
Energy (hartrees) | |
---|---|
frozen core | -1923.4527119 |
correlated core | -1923.5190771 |
difference | -0.0663652 |
Energy (hartrees) | |
---|---|
frozen core | -1923.4527120 |
correlated core | -1923.5190769 |
difference | -0.0663649 |
Energy (hartrees) | |
---|---|
frozen core | -1923.4527119 |
correlated core | -1923.5190769 |
difference | -0.0663650 |