Energy differences between frozen core and full core for MP2/3-21G*
For (Phosphorus diatomic)
|
Energy (hartrees) |
frozen core |
-75.4930339 |
correlated core |
-75.4947876 |
difference |
-0.0017537 |
|
Energy (hartrees) |
frozen core |
-75.4930339 |
correlated core |
-75.4947876 |
difference |
-0.0017537 |
|
Energy (hartrees) |
frozen core |
-75.4930339 |
correlated core |
-75.4947876 |
difference |
-0.0017537 |
|
Energy (hartrees) |
frozen core |
-75.4930339 |
correlated core |
-75.4947876 |
difference |
-0.0017537 |
|
Energy (hartrees) |
frozen core |
-75.5188797 |
correlated core |
-75.5206358 |
difference |
-0.0017561 |