III.G.10.a. |
Energy differences between frozen core and full core for MP3/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -958.4067016 |
correlated core | -958.4295592 |
difference | -0.0228576 |
Energy (hartrees) | |
---|---|
frozen core | -958.4067016 |
correlated core | -958.4295592 |
difference | -0.0228576 |
Energy (hartrees) | |
---|---|
frozen core | -958.4067016 |
correlated core | -958.4295605 |
difference | -0.0228589 |
Energy (hartrees) | |
---|---|
frozen core | -958.4067016 |
correlated core | -958.4295605 |
difference | -0.0228589 |