III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G*
For ()Energy (hartrees) | |
---|---|
frozen core | -116.8521473 |
correlated core | -116.9075476 |
difference | -0.0554004 |
Energy (hartrees) | |
---|---|
frozen core | -116.8521473 |
correlated core | -116.9075476 |
difference | -0.0554004 |
Energy (hartrees) | |
---|---|
frozen core | -116.8521473 |
correlated core | -116.9075476 |
difference | -0.0554004 |
Energy (hartrees) | |
---|---|
frozen core | -116.8521473 |
correlated core | -116.9075476 |
difference | -0.0554004 |
Energy (hartrees) | |
---|---|
frozen core | -116.8521472 |
correlated core | -116.9075476 |
difference | -0.0554004 |
Energy (hartrees) | |
---|---|
frozen core | -116.8521472 |
correlated core | -116.9075476 |
difference | -0.0554004 |