III.G.10.a. |
Energy differences between frozen core and full core for CCSD/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -76.2058406 |
correlated core | -76.2080735 |
difference | -0.0022329 |
Energy (hartrees) | |
---|---|
frozen core | -76.2058406 |
correlated core | -76.2080734 |
difference | -0.0022328 |
Energy (hartrees) | |
---|---|
frozen core | -76.2058406 |
correlated core | -76.2080734 |
difference | -0.0022328 |
Energy (hartrees) | |
---|---|
frozen core | -76.2059235 |
correlated core | -76.2080735 |
difference | -0.0021499 |
Energy (hartrees) | |
---|---|
frozen core | -76.2059235 |
correlated core | -76.2080734 |
difference | -0.0021499 |
Energy (hartrees) | |
---|---|
frozen core | -76.2059235 |
correlated core | -76.2080734 |
difference | -0.0021498 |
Energy (hartrees) | |
---|---|
frozen core | -76.2059235 |
correlated core | -76.2080735 |
difference | -0.0021500 |
Energy (hartrees) | |
---|---|
frozen core | -76.2059235 |
correlated core | -76.2080734 |
difference | -0.0021499 |
Energy (hartrees) | |
---|---|
frozen core | -76.2059235 |
correlated core | -76.2080734 |
difference | -0.0021499 |