III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVTZ
For (Lithium borohydride)Energy (hartrees) | |
---|---|
frozen core | -1923.3779961 |
correlated core | -1923.4239458 |
difference | -0.0459497 |
Energy (hartrees) | |
---|---|
frozen core | -1923.3779961 |
correlated core | -1923.4239458 |
difference | -0.0459497 |
Energy (hartrees) | |
---|---|
frozen core | -1923.3779961 |
correlated core | -1923.4239458 |
difference | -0.0459497 |
Energy (hartrees) | |
---|---|
frozen core | -1923.3779961 |
correlated core | -1923.4239458 |
difference | -0.0459497 |