III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -139.8359262 |
correlated core | -139.8379472 |
difference | -0.0020211 |
Energy (hartrees) | |
---|---|
frozen core | -139.8359262 |
correlated core | -139.8379472 |
difference | -0.0020210 |
Energy (hartrees) | |
---|---|
frozen core | -139.8359262 |
correlated core | -139.8379473 |
difference | -0.0020211 |
Energy (hartrees) | |
---|---|
frozen core | -139.8359262 |
correlated core | -139.8379473 |
difference | -0.0020211 |