III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -758.6306790 |
correlated core | -758.7036940 |
difference | -0.0730150 |
Energy (hartrees) | |
---|---|
frozen core | -758.6582335 |
correlated core | -758.7314353 |
difference | -0.0732018 |
Energy (hartrees) | |
---|---|
frozen core | -758.6582337 |
correlated core | -758.7314353 |
difference | -0.0732017 |