III.G.10.a. |
Energy differences between frozen core and full core for MP3/6-31+G**
For ()Energy (hartrees) | |
---|---|
frozen core | -515.3772373 |
correlated core | -515.3972280 |
difference | -0.0199907 |
Energy (hartrees) | |
---|---|
frozen core | -515.3839565 |
correlated core | -515.3972280 |
difference | -0.0132715 |
Energy (hartrees) | |
---|---|
frozen core | -515.3772373 |
correlated core | -515.3972281 |
difference | -0.0199908 |
Energy (hartrees) | |
---|---|
frozen core | -515.3839565 |
correlated core | -515.3972281 |
difference | -0.0132716 |