III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -452.3558411 |
correlated core | -452.4012262 |
difference | -0.0453851 |
Energy (hartrees) | |
---|---|
frozen core | -452.3558411 |
correlated core | -452.4012262 |
difference | -0.0453850 |
Energy (hartrees) | |
---|---|
frozen core | -452.3558412 |
correlated core | -452.4012262 |
difference | -0.0453851 |
Energy (hartrees) | |
---|---|
frozen core | -452.3558412 |
correlated core | -452.4012262 |
difference | -0.0453850 |