III.G.10.a. |
Energy differences between frozen core and full core for CCSD/aug-cc-pVTZ
For (Bromine nitrate)Energy (hartrees) | |
---|---|
frozen core | -184.3837581 |
correlated core | -184.4314986 |
difference | -0.0477405 |
Energy (hartrees) | |
---|---|
frozen core | -184.3837581 |
correlated core | -184.4314986 |
difference | -0.0477405 |
Energy (hartrees) | |
---|---|
frozen core | -184.3837581 |
correlated core | -184.4314985 |
difference | -0.0477405 |
Energy (hartrees) | |
---|---|
frozen core | -184.3837581 |
correlated core | -184.4314986 |
difference | -0.0477405 |
Energy (hartrees) | |
---|---|
frozen core | -184.3837581 |
correlated core | -184.4314986 |
difference | -0.0477405 |
Energy (hartrees) | |
---|---|
frozen core | -184.3837581 |
correlated core | -184.4314985 |
difference | -0.0477405 |