III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -99.7509679 |
correlated core | -99.7826053 |
difference | -0.0316375 |
Energy (hartrees) | |
---|---|
frozen core | -99.7509679 |
correlated core | -99.7826053 |
difference | -0.0316374 |
Energy (hartrees) | |
---|---|
frozen core | -99.7509678 |
correlated core | -99.7826053 |
difference | -0.0316375 |
Energy (hartrees) | |
---|---|
frozen core | -99.7509678 |
correlated core | -99.7826053 |
difference | -0.0316375 |