III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -83.0495691 |
correlated core | -83.1061450 |
difference | -0.0565759 |
Energy (hartrees) | |
---|---|
frozen core | -83.0495692 |
correlated core | -83.1061450 |
difference | -0.0565758 |
Energy (hartrees) | |
---|---|
frozen core | -83.0495689 |
correlated core | -83.1061450 |
difference | -0.0565761 |
Energy (hartrees) | |
---|---|
frozen core | -83.0495691 |
correlated core | -83.1061450 |
difference | -0.0565760 |
Energy (hartrees) | |
---|---|
frozen core | -83.0495692 |
correlated core | -83.1061450 |
difference | -0.0565759 |
Energy (hartrees) | |
---|---|
frozen core | -83.0495689 |
correlated core | -83.1061450 |
difference | -0.0565762 |
Energy (hartrees) | |
---|---|
frozen core | -83.0495691 |
correlated core | -83.1061449 |
difference | -0.0565759 |
Energy (hartrees) | |
---|---|
frozen core | -83.0495692 |
correlated core | -83.1061449 |
difference | -0.0565758 |
Energy (hartrees) | |
---|---|
frozen core | -83.0495689 |
correlated core | -83.1061449 |
difference | -0.0565761 |