III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -2077.7925845 |
correlated core | -2077.8113915 |
difference | -0.0188070 |
Energy (hartrees) | |
---|---|
frozen core | -2077.7925845 |
correlated core | -2077.8113915 |
difference | -0.0188070 |
Energy (hartrees) | |
---|---|
frozen core | -2077.7926313 |
correlated core | -2077.8113915 |
difference | -0.0187602 |
Energy (hartrees) | |
---|---|
frozen core | -2077.7925845 |
correlated core | -2077.8114378 |
difference | -0.0188533 |
Energy (hartrees) | |
---|---|
frozen core | -2077.7925845 |
correlated core | -2077.8114378 |
difference | -0.0188533 |
Energy (hartrees) | |
---|---|
frozen core | -2077.7926313 |
correlated core | -2077.8114378 |
difference | -0.0188065 |