III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVQZ
For (Ethylene oxide)Energy (hartrees) | |
---|---|
frozen core | -323.7363316 |
correlated core | -323.7710783 |
difference | -0.0347467 |
Energy (hartrees) | |
---|---|
frozen core | -323.7363316 |
correlated core | -323.7710775 |
difference | -0.0347459 |
Energy (hartrees) | |
---|---|
frozen core | -323.7363317 |
correlated core | -323.7710783 |
difference | -0.0347466 |
Energy (hartrees) | |
---|---|
frozen core | -323.7363317 |
correlated core | -323.7710775 |
difference | -0.0347458 |