III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -89.8672465 |
correlated core | -89.9088539 |
difference | -0.0416073 |
Energy (hartrees) | |
---|---|
frozen core | -89.8672464 |
correlated core | -89.9088539 |
difference | -0.0416074 |
Energy (hartrees) | |
---|---|
frozen core | -89.8672465 |
correlated core | -89.9088537 |
difference | -0.0416072 |
Energy (hartrees) | |
---|---|
frozen core | -89.8672464 |
correlated core | -89.9088537 |
difference | -0.0416073 |