III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/TZVP
For ()Energy (hartrees) | |
---|---|
frozen core | -2078.0694037 |
correlated core | -2078.1113112 |
difference | -0.0419075 |
Energy (hartrees) | |
---|---|
frozen core | -2078.0693882 |
correlated core | -2078.1113112 |
difference | -0.0419230 |
Energy (hartrees) | |
---|---|
frozen core | -2078.0694037 |
correlated core | -2078.1112956 |
difference | -0.0418919 |
Energy (hartrees) | |
---|---|
frozen core | -2078.0693882 |
correlated core | -2078.1112956 |
difference | -0.0419075 |