III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pCVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -93.2791314 |
correlated core | -93.3804609 |
difference | -0.1013295 |
Energy (hartrees) | |
---|---|
frozen core | -93.2791314 |
correlated core | -93.3804609 |
difference | -0.1013295 |
Energy (hartrees) | |
---|---|
frozen core | -93.2791314 |
correlated core | -93.3804609 |
difference | -0.1013295 |
Energy (hartrees) | |
---|---|
frozen core | -93.2791314 |
correlated core | -93.3804609 |
difference | -0.1013295 |