III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVDZ
For (lithium cyanide)Energy (hartrees) | |
---|---|
frozen core | -106.7668476 |
correlated core | -106.7689847 |
difference | -0.0021371 |
Energy (hartrees) | |
---|---|
frozen core | -106.7668476 |
correlated core | -106.7689847 |
difference | -0.0021371 |
Energy (hartrees) | |
---|---|
frozen core | -106.7668476 |
correlated core | -106.7689847 |
difference | -0.0021372 |
Energy (hartrees) | |
---|---|
frozen core | -106.7668476 |
correlated core | -106.7689847 |
difference | -0.0021371 |