III.G.10.a. |
Energy differences between frozen core and full core for MP2/3-21G
For ()Energy (hartrees) | |
---|---|
frozen core | -310.3583577 |
correlated core | -310.3655132 |
difference | -0.0071555 |
Energy (hartrees) | |
---|---|
frozen core | -310.3583578 |
correlated core | -310.3655132 |
difference | -0.0071554 |
Energy (hartrees) | |
---|---|
frozen core | -310.3583577 |
correlated core | -310.3655133 |
difference | -0.0071556 |
Energy (hartrees) | |
---|---|
frozen core | -310.3583578 |
correlated core | -310.3655133 |
difference | -0.0071555 |