Energy differences between frozen core and full core for MP2/6-31G*
For (Methane, bromofluoro-)
|
Energy (hartrees) |
frozen core |
-1921.2207202 |
correlated core |
-1921.2453064 |
difference |
-0.0245862 |
|
Energy (hartrees) |
frozen core |
-1921.2207202 |
correlated core |
-1921.2453064 |
difference |
-0.0245862 |
|
Energy (hartrees) |
frozen core |
-1921.2207202 |
correlated core |
-1921.2453064 |
difference |
-0.0245862 |
|
Energy (hartrees) |
frozen core |
-1921.2207202 |
correlated core |
-1921.2453064 |
difference |
-0.0245862 |
|
Energy (hartrees) |
frozen core |
-1921.2207202 |
correlated core |
-1921.2453064 |
difference |
-0.0245862 |
|
Energy (hartrees) |
frozen core |
-1921.2207202 |
correlated core |
-1921.2453064 |
difference |
-0.0245862 |