III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/TZVP
For ()Energy (hartrees) | |
---|---|
frozen core | -2076.2570570 |
correlated core | -2076.2990155 |
difference | -0.0419585 |
Energy (hartrees) | |
---|---|
frozen core | -2076.2570570 |
correlated core | -2076.2989984 |
difference | -0.0419413 |
Energy (hartrees) | |
---|---|
frozen core | -2076.2570399 |
correlated core | -2076.2990155 |
difference | -0.0419757 |
Energy (hartrees) | |
---|---|
frozen core | -2076.2570399 |
correlated core | -2076.2989984 |
difference | -0.0419585 |