III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/6-31G**
For ()Energy (hartrees) | |
---|---|
frozen core | -99.4988881 |
correlated core | -99.5004929 |
difference | -0.0016048 |
Energy (hartrees) | |
---|---|
frozen core | -99.4988881 |
correlated core | -99.5004928 |
difference | -0.0016047 |
Energy (hartrees) | |
---|---|
frozen core | -99.4988881 |
correlated core | -99.5004929 |
difference | -0.0016048 |
Energy (hartrees) | |
---|---|
frozen core | -99.4988881 |
correlated core | -99.5004928 |
difference | -0.0016047 |
Energy (hartrees) | |
---|---|
frozen core | -99.4988864 |
correlated core | -99.5004929 |
difference | -0.0016065 |
Energy (hartrees) | |
---|---|
frozen core | -99.4988864 |
correlated core | -99.5004928 |
difference | -0.0016064 |