III.G.10.a. |
Energy differences between frozen core and full core for MP2/3-21G
For ()Energy (hartrees) | |
---|---|
frozen core | -287.3786341 |
correlated core | -287.3841692 |
difference | -0.0055351 |
Energy (hartrees) | |
---|---|
frozen core | -287.3786341 |
correlated core | -287.3841692 |
difference | -0.0055351 |
Energy (hartrees) | |
---|---|
frozen core | -287.3786341 |
correlated core | -287.3841692 |
difference | -0.0055351 |
Energy (hartrees) | |
---|---|
frozen core | -287.3786341 |
correlated core | -287.3841692 |
difference | -0.0055351 |