III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/STO-3G
For ()Energy (hartrees) | |
---|---|
frozen core | -92.0861348 |
correlated core | -92.0862981 |
difference | -0.0001633 |
Energy (hartrees) | |
---|---|
frozen core | -92.0861343 |
correlated core | -92.0862981 |
difference | -0.0001638 |
Energy (hartrees) | |
---|---|
frozen core | -92.0861348 |
correlated core | -92.0862976 |
difference | -0.0001628 |
Energy (hartrees) | |
---|---|
frozen core | -92.0861343 |
correlated core | -92.0862976 |
difference | -0.0001633 |