III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -241.9226898 |
correlated core | -241.9272504 |
difference | -0.0045605 |
Energy (hartrees) | |
---|---|
frozen core | -241.9226898 |
correlated core | -241.9272503 |
difference | -0.0045604 |
Energy (hartrees) | |
---|---|
frozen core | -241.9226898 |
correlated core | -241.9272504 |
difference | -0.0045606 |
Energy (hartrees) | |
---|---|
frozen core | -241.9226898 |
correlated core | -241.9272503 |
difference | -0.0045605 |