III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -498.7772953 |
correlated core | -498.7849513 |
difference | -0.0076560 |
Energy (hartrees) | |
---|---|
frozen core | -498.7772953 |
correlated core | -498.7849513 |
difference | -0.0076560 |
Energy (hartrees) | |
---|---|
frozen core | -498.7772953 |
correlated core | -498.7849513 |
difference | -0.0076560 |
Energy (hartrees) | |
---|---|
frozen core | -498.7772953 |
correlated core | -498.7849513 |
difference | -0.0076560 |
Energy (hartrees) | |
---|---|
frozen core | -498.7772217 |
correlated core | -498.7848881 |
difference | -0.0076664 |