III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -129.8785388 |
correlated core | -129.8950565 |
difference | -0.0165177 |
Energy (hartrees) | |
---|---|
frozen core | -129.8785388 |
correlated core | -129.8950565 |
difference | -0.0165177 |
Energy (hartrees) | |
---|---|
frozen core | -129.8785388 |
correlated core | -129.8950565 |
difference | -0.0165177 |
Energy (hartrees) | |
---|---|
frozen core | -129.8785388 |
correlated core | -129.8950565 |
difference | -0.0165177 |