III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/daug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -99.6281005 |
correlated core | -99.6404839 |
difference | -0.0123834 |
Energy (hartrees) | |
---|---|
frozen core | -99.6281005 |
correlated core | -99.6404838 |
difference | -0.0123833 |
Energy (hartrees) | |
---|---|
frozen core | -99.6281004 |
correlated core | -99.6404839 |
difference | -0.0123835 |
Energy (hartrees) | |
---|---|
frozen core | -99.6281004 |
correlated core | -99.6404838 |
difference | -0.0123834 |