III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -579.1062168 |
correlated core | -579.1215405 |
difference | -0.0153237 |
Energy (hartrees) | |
---|---|
frozen core | -579.1427691 |
correlated core | -579.1572809 |
difference | -0.0145119 |
Energy (hartrees) | |
---|---|
frozen core | -579.1691085 |
correlated core | -579.1839880 |
difference | -0.0148795 |
Energy (hartrees) | |
---|---|
frozen core | -579.1534953 |
correlated core | -579.1683731 |
difference | -0.0148778 |