III.G.10.a. |
Energy differences between frozen core and full core for MP4/6-311G**
For ()Energy (hartrees) | |
---|---|
frozen core | -459.1499547 |
correlated core | -459.1987644 |
difference | -0.0488098 |
Energy (hartrees) | |
---|---|
frozen core | -459.1499547 |
correlated core | -459.1987644 |
difference | -0.0488098 |
Energy (hartrees) | |
---|---|
frozen core | -459.1499547 |
correlated core | -459.1987644 |
difference | -0.0488098 |
Energy (hartrees) | |
---|---|
frozen core | -459.1499547 |
correlated core | -459.1987644 |
difference | -0.0488098 |