III.G.10.a. |
Energy differences between frozen core and full core for MP3/6-31+G**
For ()Energy (hartrees) | |
---|---|
frozen core | -622.6461245 |
correlated core | -622.6837952 |
difference | -0.0376707 |
Energy (hartrees) | |
---|---|
frozen core | -622.6617938 |
correlated core | -622.6837952 |
difference | -0.0220014 |
Energy (hartrees) | |
---|---|
frozen core | -622.6461245 |
correlated core | -622.6837952 |
difference | -0.0376707 |
Energy (hartrees) | |
---|---|
frozen core | -622.6617938 |
correlated core | -622.6837952 |
difference | -0.0220014 |