III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -82.4250633 |
correlated core | -82.4282684 |
difference | -0.0032051 |
Energy (hartrees) | |
---|---|
frozen core | -82.4128656 |
correlated core | -82.4282684 |
difference | -0.0154027 |
Energy (hartrees) | |
---|---|
frozen core | -82.4250632 |
correlated core | -82.4282684 |
difference | -0.0032052 |
Energy (hartrees) | |
---|---|
frozen core | -82.4250632 |
correlated core | -82.4282684 |
difference | -0.0032052 |
Energy (hartrees) | |
---|---|
frozen core | -82.4250633 |
correlated core | -82.4163687 |
difference | 0.0086946 |
Energy (hartrees) | |
---|---|
frozen core | -82.4128656 |
correlated core | -82.4163687 |
difference | -0.0035030 |
Energy (hartrees) | |
---|---|
frozen core | -82.4250632 |
correlated core | -82.4163687 |
difference | 0.0086945 |
Energy (hartrees) | |
---|---|
frozen core | -82.4250632 |
correlated core | -82.4163687 |
difference | 0.0086945 |
Energy (hartrees) | |
---|---|
frozen core | -82.4250633 |
correlated core | -82.4282684 |
difference | -0.0032051 |
Energy (hartrees) | |
---|---|
frozen core | -82.4128656 |
correlated core | -82.4282684 |
difference | -0.0154027 |
Energy (hartrees) | |
---|---|
frozen core | -82.4250632 |
correlated core | -82.4282684 |
difference | -0.0032051 |
Energy (hartrees) | |
---|---|
frozen core | -82.4250632 |
correlated core | -82.4282684 |
difference | -0.0032051 |