III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -291.3071239 |
correlated core | -291.3168497 |
difference | -0.0097258 |
Energy (hartrees) | |
---|---|
frozen core | -291.3071239 |
correlated core | -291.3168497 |
difference | -0.0097257 |
Energy (hartrees) | |
---|---|
frozen core | -291.3071239 |
correlated core | -291.3168497 |
difference | -0.0097257 |
Energy (hartrees) | |
---|---|
frozen core | -291.3071239 |
correlated core | -291.3168497 |
difference | -0.0097258 |
Energy (hartrees) | |
---|---|
frozen core | -291.3071239 |
correlated core | -291.3168497 |
difference | -0.0097257 |
Energy (hartrees) | |
---|---|
frozen core | -291.3071239 |
correlated core | -291.3168497 |
difference | -0.0097257 |
Energy (hartrees) | |
---|---|
frozen core | -291.3071239 |
correlated core | -291.3168497 |
difference | -0.0097258 |
Energy (hartrees) | |
---|---|
frozen core | -291.3071239 |
correlated core | -291.3168497 |
difference | -0.0097257 |
Energy (hartrees) | |
---|---|
frozen core | -291.3071239 |
correlated core | -291.3168497 |
difference | -0.0097257 |