III.G.10.a. |
Energy differences between frozen core and full core for CCSD/6-31+G**
For ()Energy (hartrees) | |
---|---|
frozen core | -109.2619103 |
correlated core | -109.2682333 |
difference | -0.0063231 |
Energy (hartrees) | |
---|---|
frozen core | -109.2619103 |
correlated core | -109.2677807 |
difference | -0.0058704 |
Energy (hartrees) | |
---|---|
frozen core | -109.2614117 |
correlated core | -109.2682333 |
difference | -0.0068217 |
Energy (hartrees) | |
---|---|
frozen core | -109.2614117 |
correlated core | -109.2677807 |
difference | -0.0063690 |