III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -2078.1051990 |
correlated core | -2078.1271745 |
difference | -0.0219755 |
Energy (hartrees) | |
---|---|
frozen core | -2078.1052455 |
correlated core | -2078.1271745 |
difference | -0.0219290 |
Energy (hartrees) | |
---|---|
frozen core | -2078.1051990 |
correlated core | -2078.1272223 |
difference | -0.0220233 |
Energy (hartrees) | |
---|---|
frozen core | -2078.1052455 |
correlated core | -2078.1272223 |
difference | -0.0219768 |