III.G.10.a. |
Energy differences between frozen core and full core for MP2/3-21G
For ()Energy (hartrees) | |
---|---|
frozen core | -92.0585885 |
correlated core | -92.0609293 |
difference | -0.0023408 |
Energy (hartrees) | |
---|---|
frozen core | -92.0627653 |
correlated core | -92.0609293 |
difference | 0.0018360 |
Energy (hartrees) | |
---|---|
frozen core | -92.0585885 |
correlated core | -92.0659809 |
difference | -0.0073924 |
Energy (hartrees) | |
---|---|
frozen core | -92.0627653 |
correlated core | -92.0659809 |
difference | -0.0032156 |