III.G.10.a. |
Energy differences between frozen core and full core for CCSD/6-311G**
For ()Energy (hartrees) | |
---|---|
frozen core | -99.5640525 |
correlated core | -99.5826054 |
difference | -0.0185529 |
Energy (hartrees) | |
---|---|
frozen core | -99.5640525 |
correlated core | -99.5826054 |
difference | -0.0185529 |
Energy (hartrees) | |
---|---|
frozen core | -99.5640525 |
correlated core | -99.5826054 |
difference | -0.0185529 |
Energy (hartrees) | |
---|---|
frozen core | -99.5640525 |
correlated core | -99.5826054 |
difference | -0.0185529 |