III.G.10.a. |
Energy differences between frozen core and full core for QCISD(TQ)/6-31+G**
For ()Energy (hartrees) | |
---|---|
frozen core | -76.2447752 |
correlated core | -76.2473182 |
difference | -0.0025430 |
Energy (hartrees) | |
---|---|
frozen core | -76.2447752 |
correlated core | -76.2473182 |
difference | -0.0025430 |
Energy (hartrees) | |
---|---|
frozen core | -76.2447752 |
correlated core | -76.2473182 |
difference | -0.0025430 |
Energy (hartrees) | |
---|---|
frozen core | -76.2447752 |
correlated core | -76.2473182 |
difference | -0.0025430 |