III.G.10.a. |
Energy differences between frozen core and full core for MP3/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -79.5209051 |
correlated core | -79.5300573 |
difference | -0.0091521 |
Energy (hartrees) | |
---|---|
frozen core | -79.5209051 |
correlated core | -79.5300573 |
difference | -0.0091521 |
Energy (hartrees) | |
---|---|
frozen core | -79.5209051 |
correlated core | -79.5300573 |
difference | -0.0091521 |
Energy (hartrees) | |
---|---|
frozen core | -79.5209051 |
correlated core | -79.5300573 |
difference | -0.0091521 |
Energy (hartrees) | |
---|---|
frozen core | -79.5160412 |
correlated core | -79.5251939 |
difference | -0.0091527 |