III.G.10.a. |
Energy differences between frozen core and full core for MP4/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -112.5572372 |
correlated core | -112.5616041 |
difference | -0.0043670 |
Energy (hartrees) | |
---|---|
frozen core | -112.5572371 |
correlated core | -112.5616041 |
difference | -0.0043670 |
Energy (hartrees) | |
---|---|
frozen core | -112.5572372 |
correlated core | -112.5616040 |
difference | -0.0043669 |
Energy (hartrees) | |
---|---|
frozen core | -112.5572371 |
correlated core | -112.5616040 |
difference | -0.0043670 |