III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -150.9860260 |
correlated core | -150.9948261 |
difference | -0.0088001 |
Energy (hartrees) | |
---|---|
frozen core | -150.9860260 |
correlated core | -150.9948261 |
difference | -0.0088002 |
Energy (hartrees) | |
---|---|
frozen core | -150.9730855 |
correlated core | -151.0028214 |
difference | -0.0297358 |