Energy differences between frozen core and full core for MP2/6-31G*
For (Phosphorus monoxide)
|
Energy (hartrees) |
frozen core |
-2.9267202 |
correlated core |
-2.9267202 |
difference |
0.0000000 |
|
Energy (hartrees) |
frozen core |
-2.9267202 |
correlated core |
-2.9267202 |
difference |
-0.0000000 |
|
Energy (hartrees) |
frozen core |
-2.9267202 |
correlated core |
-2.9267202 |
difference |
0.0000000 |
|
Energy (hartrees) |
frozen core |
-2.9267202 |
correlated core |
-2.9267202 |
difference |
0.0000000 |
|
Energy (hartrees) |
frozen core |
-2.9267202 |
correlated core |
-2.9267202 |
difference |
0.0000000 |
|
Energy (hartrees) |
frozen core |
-2.9267202 |
correlated core |
-2.9267202 |
difference |
0.0000000 |