III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pCVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -460.5336023 |
correlated core | -460.8716462 |
difference | -0.3380439 |
Energy (hartrees) | |
---|---|
frozen core | -460.5336022 |
correlated core | -460.8716462 |
difference | -0.3380440 |
Energy (hartrees) | |
---|---|
frozen core | -460.5336023 |
correlated core | -460.8716462 |
difference | -0.3380438 |
Energy (hartrees) | |
---|---|
frozen core | -460.5336022 |
correlated core | -460.8716462 |
difference | -0.3380440 |