III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G*
For ()Energy (hartrees) | |
---|---|
frozen core | -452.2146440 |
correlated core | -452.3532905 |
difference | -0.1386466 |
Energy (hartrees) | |
---|---|
frozen core | -452.2146440 |
correlated core | -452.3532905 |
difference | -0.1386466 |
Energy (hartrees) | |
---|---|
frozen core | -452.2146440 |
correlated core | -452.3532905 |
difference | -0.1386466 |
Energy (hartrees) | |
---|---|
frozen core | -452.2146440 |
correlated core | -452.3532905 |
difference | -0.1386466 |
Energy (hartrees) | |
---|---|
frozen core | -452.1700502 |
correlated core | -452.3532905 |
difference | -0.1832403 |
Energy (hartrees) | |
---|---|
frozen core | -452.1700502 |
correlated core | -452.3532905 |
difference | -0.1832403 |