III.G.10.a. |
Energy differences between frozen core and full core for MP3/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -76.2027093 |
correlated core | -76.2048765 |
difference | -0.0021673 |
Energy (hartrees) | |
---|---|
frozen core | -76.2027092 |
correlated core | -76.2048765 |
difference | -0.0021673 |
Energy (hartrees) | |
---|---|
frozen core | -76.2027093 |
correlated core | -76.2048766 |
difference | -0.0021674 |
Energy (hartrees) | |
---|---|
frozen core | -76.2027092 |
correlated core | -76.2048766 |
difference | -0.0021674 |