III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G**
For ()Energy (hartrees) | |
---|---|
frozen core | -483.8469448 |
correlated core | -484.0977516 |
difference | -0.2508067 |
Energy (hartrees) | |
---|---|
frozen core | -483.8469448 |
correlated core | -484.0977516 |
difference | -0.2508067 |
Energy (hartrees) | |
---|---|
frozen core | -483.8469448 |
correlated core | -484.0977516 |
difference | -0.2508067 |
Energy (hartrees) | |
---|---|
frozen core | -483.8469448 |
correlated core | -484.0977516 |
difference | -0.2508067 |