III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -39.0483457 |
correlated core | -39.0504342 |
difference | -0.0020885 |
Energy (hartrees) | |
---|---|
frozen core | -39.0483457 |
correlated core | -39.0504342 |
difference | -0.0020885 |
Energy (hartrees) | |
---|---|
frozen core | -39.0483457 |
correlated core | -39.0504342 |
difference | -0.0020885 |
Energy (hartrees) | |
---|---|
frozen core | -39.0483457 |
correlated core | -39.0504342 |
difference | -0.0020885 |
Energy (hartrees) | |
---|---|
frozen core | -39.0382461 |
correlated core | -39.0403513 |
difference | -0.0021052 |