III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -264.0065726 |
correlated core | -264.0279323 |
difference | -0.0213597 |
Energy (hartrees) | |
---|---|
frozen core | -264.0065726 |
correlated core | -264.0279323 |
difference | -0.0213597 |
Energy (hartrees) | |
---|---|
frozen core | -264.0065724 |
correlated core | -264.0279323 |
difference | -0.0213599 |
Energy (hartrees) | |
---|---|
frozen core | -264.0065724 |
correlated core | -264.0279323 |
difference | -0.0213599 |
Energy (hartrees) | |
---|---|
frozen core | -264.0065726 |
correlated core | -264.0279323 |
difference | -0.0213597 |
Energy (hartrees) | |
---|---|
frozen core | -264.0065726 |
correlated core | -264.0279323 |
difference | -0.0213597 |