III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G**
For (lithium cyanide)Energy (hartrees) | |
---|---|
frozen core | -149.9156589 |
correlated core | -149.9202212 |
difference | -0.0045623 |
Energy (hartrees) | |
---|---|
frozen core | -149.9156589 |
correlated core | -149.9202212 |
difference | -0.0045623 |
Energy (hartrees) | |
---|---|
frozen core | -149.9156589 |
correlated core | -149.9202212 |
difference | -0.0045623 |
Energy (hartrees) | |
---|---|
frozen core | -149.9156589 |
correlated core | -149.9202212 |
difference | -0.0045623 |