Energy differences between frozen core and full core for MP2/6-311G*
For (Thio-thionyl fluoride)
|
Energy (hartrees) |
frozen core |
-117.4913653 |
correlated core |
-117.5472631 |
difference |
-0.0558977 |
|
Energy (hartrees) |
frozen core |
-117.4913653 |
correlated core |
-117.5472631 |
difference |
-0.0558977 |
|
Energy (hartrees) |
frozen core |
-117.4913653 |
correlated core |
-117.5472631 |
difference |
-0.0558978 |
|
Energy (hartrees) |
frozen core |
-117.4913653 |
correlated core |
-117.5472631 |
difference |
-0.0558977 |
|
Energy (hartrees) |
frozen core |
-117.4913653 |
correlated core |
-117.5472631 |
difference |
-0.0558977 |
|
Energy (hartrees) |
frozen core |
-117.4913653 |
correlated core |
-117.5472631 |
difference |
-0.0558977 |