III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/aug-cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -79.7005404 |
correlated core | -79.7618680 |
difference | -0.0613276 |
Energy (hartrees) | |
---|---|
frozen core | -79.7005404 |
correlated core | -79.7618680 |
difference | -0.0613276 |
Energy (hartrees) | |
---|---|
frozen core | -79.7005404 |
correlated core | -79.7618665 |
difference | -0.0613261 |
Energy (hartrees) | |
---|---|
frozen core | -79.7005404 |
correlated core | -79.7618665 |
difference | -0.0613261 |
Energy (hartrees) | |
---|---|
frozen core | -79.6962013 |
correlated core | -79.7575731 |
difference | -0.0613719 |