III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G
For ()Energy (hartrees) | |
---|---|
frozen core | -129.3910028 |
correlated core | -129.3931084 |
difference | -0.0021056 |
Energy (hartrees) | |
---|---|
frozen core | -129.3910028 |
correlated core | -129.3931084 |
difference | -0.0021056 |
Energy (hartrees) | |
---|---|
frozen core | -129.3910028 |
correlated core | -129.3931084 |
difference | -0.0021056 |
Energy (hartrees) | |
---|---|
frozen core | -129.3910028 |
correlated core | -129.3931084 |
difference | -0.0021056 |
Energy (hartrees) | |
---|---|
frozen core | -129.3910028 |
correlated core | -129.3931084 |
difference | -0.0021056 |
Energy (hartrees) | |
---|---|
frozen core | -129.3910028 |
correlated core | -129.3931084 |
difference | -0.0021056 |