III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31+G**
For ()Energy (hartrees) | |
---|---|
frozen core | -515.3636881 |
correlated core | -515.3780448 |
difference | -0.0143566 |
Energy (hartrees) | |
---|---|
frozen core | -515.3636882 |
correlated core | -515.3780448 |
difference | -0.0143566 |
Energy (hartrees) | |
---|---|
frozen core | -515.3636881 |
correlated core | -515.3780447 |
difference | -0.0143566 |
Energy (hartrees) | |
---|---|
frozen core | -515.3636882 |
correlated core | -515.3780447 |
difference | -0.0143565 |