III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -1923.2392820 |
correlated core | -1923.2470415 |
difference | -0.0077595 |
Energy (hartrees) | |
---|---|
frozen core | -1923.2392820 |
correlated core | -1923.2470415 |
difference | -0.0077595 |
Energy (hartrees) | |
---|---|
frozen core | -1923.2392820 |
correlated core | -1923.2470415 |
difference | -0.0077595 |
Energy (hartrees) | |
---|---|
frozen core | -1923.2392820 |
correlated core | -1923.2470415 |
difference | -0.0077595 |