III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVTZ
For (Diborane(2))Energy (hartrees) | |
---|---|
frozen core | -164.5386767 |
correlated core | -164.5806776 |
difference | -0.0420009 |
Energy (hartrees) | |
---|---|
frozen core | -164.5386767 |
correlated core | -164.5806776 |
difference | -0.0420009 |
Energy (hartrees) | |
---|---|
frozen core | -164.5386767 |
correlated core | -164.5806776 |
difference | -0.0420009 |
Energy (hartrees) | |
---|---|
frozen core | -164.5386767 |
correlated core | -164.5806776 |
difference | -0.0420009 |