III.G.10.a. |
Energy differences between frozen core and full core for MP2/3-21G*
For ()Energy (hartrees) | |
---|---|
frozen core | -82.3476994 |
correlated core | -82.3507901 |
difference | -0.0030907 |
Energy (hartrees) | |
---|---|
frozen core | -82.3476994 |
correlated core | -82.3507911 |
difference | -0.0030918 |
Energy (hartrees) | |
---|---|
frozen core | -82.3476994 |
correlated core | -82.3507913 |
difference | -0.0030919 |
Energy (hartrees) | |
---|---|
frozen core | -82.3476993 |
correlated core | -82.3507901 |
difference | -0.0030908 |
Energy (hartrees) | |
---|---|
frozen core | -82.3476993 |
correlated core | -82.3507911 |
difference | -0.0030919 |
Energy (hartrees) | |
---|---|
frozen core | -82.3476993 |
correlated core | -82.3507913 |
difference | -0.0030920 |
Energy (hartrees) | |
---|---|
frozen core | -82.3476994 |
correlated core | -82.3507901 |
difference | -0.0030906 |
Energy (hartrees) | |
---|---|
frozen core | -82.3476994 |
correlated core | -82.3507911 |
difference | -0.0030917 |
Energy (hartrees) | |
---|---|
frozen core | -82.3476994 |
correlated core | -82.3507913 |
difference | -0.0030919 |