III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -460.4805409 |
correlated core | -460.4866304 |
difference | -0.0060894 |
Energy (hartrees) | |
---|---|
frozen core | -460.4805408 |
correlated core | -460.4866304 |
difference | -0.0060896 |
Energy (hartrees) | |
---|---|
frozen core | -460.4805409 |
correlated core | -460.4866303 |
difference | -0.0060893 |
Energy (hartrees) | |
---|---|
frozen core | -460.4805408 |
correlated core | -460.4866303 |
difference | -0.0060895 |