III.G.10.a. |
Energy differences between frozen core and full core for MP4/6-311G**
For ()Energy (hartrees) | |
---|---|
frozen core | -76.2763416 |
correlated core | -76.2955486 |
difference | -0.0192071 |
Energy (hartrees) | |
---|---|
frozen core | -76.2763416 |
correlated core | -76.2955487 |
difference | -0.0192071 |
Energy (hartrees) | |
---|---|
frozen core | -76.2763416 |
correlated core | -76.2955486 |
difference | -0.0192070 |
Energy (hartrees) | |
---|---|
frozen core | -76.2763416 |
correlated core | -76.2955487 |
difference | -0.0192070 |