III.G.10.a. |
Energy differences between frozen core and full core for MP4/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -90.3045584 |
correlated core | -90.3115632 |
difference | -0.0070048 |
Energy (hartrees) | |
---|---|
frozen core | -90.3045584 |
correlated core | -90.3115632 |
difference | -0.0070048 |
Energy (hartrees) | |
---|---|
frozen core | -90.3041413 |
correlated core | -90.3114932 |
difference | -0.0073519 |