III.G.10.a. |
Energy differences between frozen core and full core for MP2/3-21G
For ()Energy (hartrees) | |
---|---|
frozen core | -395.8050444 |
correlated core | -395.8099369 |
difference | -0.0048925 |
Energy (hartrees) | |
---|---|
frozen core | -395.8050444 |
correlated core | -395.8099369 |
difference | -0.0048925 |
Energy (hartrees) | |
---|---|
frozen core | -395.8050444 |
correlated core | -395.8099369 |
difference | -0.0048925 |
Energy (hartrees) | |
---|---|
frozen core | -395.8050444 |
correlated core | -395.8099369 |
difference | -0.0048925 |