III.G.10.a. |
Energy differences between frozen core and full core for CCSD/6-311G**
For ()Energy (hartrees) | |
---|---|
frozen core | -76.2714414 |
correlated core | -76.2905463 |
difference | -0.0191049 |
Energy (hartrees) | |
---|---|
frozen core | -76.2714414 |
correlated core | -76.2666700 |
difference | 0.0047713 |
Energy (hartrees) | |
---|---|
frozen core | -76.2477998 |
correlated core | -76.2905463 |
difference | -0.0427465 |
Energy (hartrees) | |
---|---|
frozen core | -76.2477998 |
correlated core | -76.2666700 |
difference | -0.0188702 |
Energy (hartrees) | |
---|---|
frozen core | -76.2714414 |
correlated core | -76.2905463 |
difference | -0.0191049 |
Energy (hartrees) | |
---|---|
frozen core | -76.2714414 |
correlated core | -76.2666700 |
difference | 0.0047714 |