III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -2333.9004965 |
correlated core | -2333.9112384 |
difference | -0.0107419 |
Energy (hartrees) | |
---|---|
frozen core | -2333.9004966 |
correlated core | -2333.9112384 |
difference | -0.0107418 |
Energy (hartrees) | |
---|---|
frozen core | -2333.9004965 |
correlated core | -2333.9112384 |
difference | -0.0107419 |
Energy (hartrees) | |
---|---|
frozen core | -2333.9004966 |
correlated core | -2333.9112384 |
difference | -0.0107418 |