III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -150.2969748 |
correlated core | -150.3050072 |
difference | -0.0080324 |
Energy (hartrees) | |
---|---|
frozen core | -150.2969748 |
correlated core | -150.3050040 |
difference | -0.0080293 |
Energy (hartrees) | |
---|---|
frozen core | -150.2969716 |
correlated core | -150.3050072 |
difference | -0.0080355 |
Energy (hartrees) | |
---|---|
frozen core | -150.2969716 |
correlated core | -150.3050040 |
difference | -0.0080324 |