III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -288.9719042 |
correlated core | -289.0261032 |
difference | -0.0541990 |
Energy (hartrees) | |
---|---|
frozen core | -288.9719042 |
correlated core | -289.0260672 |
difference | -0.0541629 |
Energy (hartrees) | |
---|---|
frozen core | -288.9718681 |
correlated core | -289.0261032 |
difference | -0.0542351 |
Energy (hartrees) | |
---|---|
frozen core | -288.9718681 |
correlated core | -289.0260672 |
difference | -0.0541990 |