III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G**
For ()Energy (hartrees) | |
---|---|
frozen core | -459.7900212 |
correlated core | -459.8390442 |
difference | -0.0490230 |
Energy (hartrees) | |
---|---|
frozen core | -459.7900212 |
correlated core | -459.8390442 |
difference | -0.0490230 |
Energy (hartrees) | |
---|---|
frozen core | -459.7900212 |
correlated core | -459.8390442 |
difference | -0.0490230 |
Energy (hartrees) | |
---|---|
frozen core | -459.7900212 |
correlated core | -459.8390442 |
difference | -0.0490230 |