Energy differences between frozen core and full core for MP2/cc-pVQZ
For (beryllium monohydroxide)
|
Energy (hartrees) |
frozen core |
-113.8199030 |
correlated core |
-113.8992377 |
difference |
-0.0793347 |
|
Energy (hartrees) |
frozen core |
-113.8199030 |
correlated core |
-113.8992377 |
difference |
-0.0793347 |
|
Energy (hartrees) |
frozen core |
-113.8199030 |
correlated core |
-113.8992377 |
difference |
-0.0793347 |
|
Energy (hartrees) |
frozen core |
-113.8199030 |
correlated core |
-113.8992377 |
difference |
-0.0793347 |
|
Energy (hartrees) |
frozen core |
-113.8199030 |
correlated core |
-113.8992376 |
difference |
-0.0793346 |
|
Energy (hartrees) |
frozen core |
-113.8199030 |
correlated core |
-113.8992377 |
difference |
-0.0793347 |
|
Energy (hartrees) |
frozen core |
-113.8199030 |
correlated core |
-113.8992376 |
difference |
-0.0793346 |
|
Energy (hartrees) |
frozen core |
-113.8199030 |
correlated core |
-113.8992377 |
difference |
-0.0793347 |