III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -79.6799503 |
correlated core | -79.7190008 |
difference | -0.0390505 |
Energy (hartrees) | |
---|---|
frozen core | -79.6799500 |
correlated core | -79.7190008 |
difference | -0.0390508 |
Energy (hartrees) | |
---|---|
frozen core | -79.6799503 |
correlated core | -79.7190009 |
difference | -0.0390506 |
Energy (hartrees) | |
---|---|
frozen core | -79.6799500 |
correlated core | -79.7190009 |
difference | -0.0390509 |
Energy (hartrees) | |
---|---|
frozen core | -79.6755269 |
correlated core | -79.7148160 |
difference | -0.0392890 |