III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -89.8885222 |
correlated core | -89.9557120 |
difference | -0.0671898 |
Energy (hartrees) | |
---|---|
frozen core | -89.8885218 |
correlated core | -89.9557120 |
difference | -0.0671902 |
Energy (hartrees) | |
---|---|
frozen core | -89.8885222 |
correlated core | -89.9557125 |
difference | -0.0671903 |
Energy (hartrees) | |
---|---|
frozen core | -89.8885218 |
correlated core | -89.9557125 |
difference | -0.0671907 |