III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -139.5598745 |
correlated core | -139.5666126 |
difference | -0.0067381 |
Energy (hartrees) | |
---|---|
frozen core | -139.5598745 |
correlated core | -139.5666126 |
difference | -0.0067381 |
Energy (hartrees) | |
---|---|
frozen core | -139.5598745 |
correlated core | -139.5666127 |
difference | -0.0067382 |
Energy (hartrees) | |
---|---|
frozen core | -139.5598745 |
correlated core | -139.5666127 |
difference | -0.0067381 |