III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -139.9080350 |
correlated core | -139.9206463 |
difference | -0.0126112 |
Energy (hartrees) | |
---|---|
frozen core | -139.9080352 |
correlated core | -139.9206463 |
difference | -0.0126111 |
Energy (hartrees) | |
---|---|
frozen core | -139.9080350 |
correlated core | -139.9206466 |
difference | -0.0126115 |
Energy (hartrees) | |
---|---|
frozen core | -139.9080352 |
correlated core | -139.9206466 |
difference | -0.0126114 |