III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G**
For ()Energy (hartrees) | |
---|---|
frozen core | -38.9747448 |
correlated core | -38.9790298 |
difference | -0.0042850 |
Energy (hartrees) | |
---|---|
frozen core | -38.9747448 |
correlated core | -38.9790297 |
difference | -0.0042849 |
Energy (hartrees) | |
---|---|
frozen core | -38.9747447 |
correlated core | -38.9790298 |
difference | -0.0042851 |
Energy (hartrees) | |
---|---|
frozen core | -38.9747447 |
correlated core | -38.9790297 |
difference | -0.0042850 |