III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pCVTZ
For (Lithium Iodide)Energy (hartrees) | |
---|---|
frozen core | -164.5461172 |
correlated core | -164.7014224 |
difference | -0.1553052 |
Energy (hartrees) | |
---|---|
frozen core | -164.5461172 |
correlated core | -164.7014224 |
difference | -0.1553052 |
Energy (hartrees) | |
---|---|
frozen core | -164.5461172 |
correlated core | -164.7014224 |
difference | -0.1553052 |
Energy (hartrees) | |
---|---|
frozen core | -164.5461172 |
correlated core | -164.7014224 |
difference | -0.1553052 |