III.G.10.a. |
Energy differences between frozen core and full core for CCSD/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -498.7264044 |
correlated core | -498.7398039 |
difference | -0.0133995 |
Energy (hartrees) | |
---|---|
frozen core | -498.7264044 |
correlated core | -498.7398039 |
difference | -0.0133995 |
Energy (hartrees) | |
---|---|
frozen core | -498.7263910 |
correlated core | -498.7397946 |
difference | -0.0134036 |