III.G.10.a. |
Energy differences between frozen core and full core for CCSD/6-31+G**
For ()Energy (hartrees) | |
---|---|
frozen core | -76.2409417 |
correlated core | -76.2434617 |
difference | -0.0025200 |
Energy (hartrees) | |
---|---|
frozen core | -76.2409417 |
correlated core | -76.2220733 |
difference | 0.0188684 |
Energy (hartrees) | |
---|---|
frozen core | -76.2380839 |
correlated core | -76.2434617 |
difference | -0.0053778 |
Energy (hartrees) | |
---|---|
frozen core | -76.2380839 |
correlated core | -76.2220733 |
difference | 0.0160106 |
Energy (hartrees) | |
---|---|
frozen core | -76.2409418 |
correlated core | -76.2434617 |
difference | -0.0025199 |
Energy (hartrees) | |
---|---|
frozen core | -76.2409418 |
correlated core | -76.2220733 |
difference | 0.0188685 |