III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVTZ
For (Hydrogen chloride)Energy (hartrees) | |
---|---|
frozen core | -488.5989810 |
correlated core | -488.6812859 |
difference | -0.0823049 |
Energy (hartrees) | |
---|---|
frozen core | -488.5989810 |
correlated core | -488.6812859 |
difference | -0.0823050 |
Energy (hartrees) | |
---|---|
frozen core | -488.5989810 |
correlated core | -488.6812859 |
difference | -0.0823049 |
Energy (hartrees) | |
---|---|
frozen core | -488.5989810 |
correlated core | -488.6812859 |
difference | -0.0823049 |
Energy (hartrees) | |
---|---|
frozen core | -488.5989810 |
correlated core | -488.6812859 |
difference | -0.0823049 |
Energy (hartrees) | |
---|---|
frozen core | -488.5989810 |
correlated core | -488.6812859 |
difference | -0.0823049 |
Energy (hartrees) | |
---|---|
frozen core | -488.5989810 |
correlated core | -488.6812859 |
difference | -0.0823049 |
Energy (hartrees) | |
---|---|
frozen core | -488.5989810 |
correlated core | -488.6812859 |
difference | -0.0823050 |
Energy (hartrees) | |
---|---|
frozen core | -488.5989810 |
correlated core | -488.6812859 |
difference | -0.0823049 |