III.G.10.a. |
Energy differences between frozen core and full core for MP4/3-21G
For ()Energy (hartrees) | |
---|---|
frozen core | -275.8637173 |
correlated core | -275.8702705 |
difference | -0.0065532 |
Energy (hartrees) | |
---|---|
frozen core | -275.8637173 |
correlated core | -275.8702705 |
difference | -0.0065532 |
Energy (hartrees) | |
---|---|
frozen core | -275.8634858 |
correlated core | -275.8700425 |
difference | -0.0065567 |
Energy (hartrees) | |
---|---|
frozen core | -275.8634858 |
correlated core | -275.8700425 |
difference | -0.0065567 |