III.G.10.a. |
Energy differences between frozen core and full core for MP2/3-21G*
For ()Energy (hartrees) | |
---|---|
frozen core | -76.5792566 |
correlated core | -76.5824251 |
difference | -0.0031685 |
Energy (hartrees) | |
---|---|
frozen core | -76.5792566 |
correlated core | -76.5824252 |
difference | -0.0031685 |
Energy (hartrees) | |
---|---|
frozen core | -76.5792567 |
correlated core | -76.5824251 |
difference | -0.0031684 |
Energy (hartrees) | |
---|---|
frozen core | -76.5792567 |
correlated core | -76.5824252 |
difference | -0.0031685 |