III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -291.7344528 |
correlated core | -291.7367345 |
difference | -0.0022817 |
Energy (hartrees) | |
---|---|
frozen core | -291.7344562 |
correlated core | -291.7367345 |
difference | -0.0022783 |
Energy (hartrees) | |
---|---|
frozen core | -291.7344528 |
correlated core | -291.7367379 |
difference | -0.0022851 |
Energy (hartrees) | |
---|---|
frozen core | -291.7344562 |
correlated core | -291.7367379 |
difference | -0.0022817 |