III.G.10.a. |
Energy differences between frozen core and full core for MP2/3-21G
For B5H9 (silanol)Energy (hartrees) | |
---|---|
frozen core | -240.5519940 |
correlated core | -240.5564169 |
difference | -0.0044229 |
Energy (hartrees) | |
---|---|
frozen core | -240.5519940 |
correlated core | -240.5564169 |
difference | -0.0044229 |
Energy (hartrees) | |
---|---|
frozen core | -240.5519940 |
correlated core | -240.5564169 |
difference | -0.0044229 |
Energy (hartrees) | |
---|---|
frozen core | -240.5519940 |
correlated core | -240.5564169 |
difference | -0.0044229 |