III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G**
For ()Energy (hartrees) | |
---|---|
frozen core | -90.3511003 |
correlated core | -90.3851575 |
difference | -0.0340572 |
Energy (hartrees) | |
---|---|
frozen core | -90.3511003 |
correlated core | -90.3851575 |
difference | -0.0340572 |
Energy (hartrees) | |
---|---|
frozen core | -90.3511003 |
correlated core | -90.3851575 |
difference | -0.0340572 |
Energy (hartrees) | |
---|---|
frozen core | -90.3511003 |
correlated core | -90.3851575 |
difference | -0.0340572 |
Energy (hartrees) | |
---|---|
frozen core | -90.3504217 |
correlated core | -90.3847889 |
difference | -0.0343672 |