III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -184.5514492 |
correlated core | -184.5536835 |
difference | -0.0022343 |
Energy (hartrees) | |
---|---|
frozen core | -184.5514492 |
correlated core | -184.5536836 |
difference | -0.0022344 |
Energy (hartrees) | |
---|---|
frozen core | -184.5514492 |
correlated core | -184.5536835 |
difference | -0.0022343 |
Energy (hartrees) | |
---|---|
frozen core | -184.5514492 |
correlated core | -184.5536836 |
difference | -0.0022343 |