III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G*
For ()Energy (hartrees) | |
---|---|
frozen core | -129.3057636 |
correlated core | -129.3427562 |
difference | -0.0369926 |
Energy (hartrees) | |
---|---|
frozen core | -129.3057636 |
correlated core | -129.3427562 |
difference | -0.0369926 |
Energy (hartrees) | |
---|---|
frozen core | -129.3057636 |
correlated core | -129.3427562 |
difference | -0.0369926 |
Energy (hartrees) | |
---|---|
frozen core | -129.3057636 |
correlated core | -129.3427562 |
difference | -0.0369926 |
Energy (hartrees) | |
---|---|
frozen core | -129.3057636 |
correlated core | -129.3427562 |
difference | -0.0369926 |
Energy (hartrees) | |
---|---|
frozen core | -129.3057636 |
correlated core | -129.3427562 |
difference | -0.0369926 |