III.G.10.a. |
Energy differences between frozen core and full core for CCSD/6-31+G**
For ()Energy (hartrees) | |
---|---|
frozen core | -99.5093973 |
correlated core | -99.5112971 |
difference | -0.0018998 |
Energy (hartrees) | |
---|---|
frozen core | -99.5093973 |
correlated core | -99.5112970 |
difference | -0.0018997 |
Energy (hartrees) | |
---|---|
frozen core | -99.5093995 |
correlated core | -99.5112971 |
difference | -0.0018976 |
Energy (hartrees) | |
---|---|
frozen core | -99.5093995 |
correlated core | -99.5112970 |
difference | -0.0018976 |
Energy (hartrees) | |
---|---|
frozen core | -99.5093973 |
correlated core | -99.5112971 |
difference | -0.0018998 |
Energy (hartrees) | |
---|---|
frozen core | -99.5093973 |
correlated core | -99.5112970 |
difference | -0.0018997 |