III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pCVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -92.5205767 |
correlated core | -92.6175584 |
difference | -0.0969817 |
Energy (hartrees) | |
---|---|
frozen core | -92.5205767 |
correlated core | -92.6175584 |
difference | -0.0969817 |
Energy (hartrees) | |
---|---|
frozen core | -92.5205766 |
correlated core | -92.6175584 |
difference | -0.0969818 |
Energy (hartrees) | |
---|---|
frozen core | -92.5205766 |
correlated core | -92.6175584 |
difference | -0.0969818 |
Energy (hartrees) | |
---|---|
frozen core | -92.5205767 |
correlated core | -92.6175584 |
difference | -0.0969817 |
Energy (hartrees) | |
---|---|
frozen core | -92.5205767 |
correlated core | -92.6175584 |
difference | -0.0969817 |
Energy (hartrees) | |
---|---|
frozen core | -92.5205766 |
correlated core | -92.6175584 |
difference | -0.0969818 |
Energy (hartrees) | |
---|---|
frozen core | -92.5205766 |
correlated core | -92.6175584 |
difference | -0.0969818 |
Energy (hartrees) | |
---|---|
frozen core | -92.5205767 |
correlated core | -92.6175583 |
difference | -0.0969817 |
Energy (hartrees) | |
---|---|
frozen core | -92.5205767 |
correlated core | -92.6175583 |
difference | -0.0969817 |
Energy (hartrees) | |
---|---|
frozen core | -92.5205766 |
correlated core | -92.6175583 |
difference | -0.0969817 |
Energy (hartrees) | |
---|---|
frozen core | -92.5205766 |
correlated core | -92.6175583 |
difference | -0.0969817 |
Energy (hartrees) | |
---|---|
frozen core | -92.5205767 |
correlated core | -92.6175583 |
difference | -0.0969817 |
Energy (hartrees) | |
---|---|
frozen core | -92.5205767 |
correlated core | -92.6175583 |
difference | -0.0969817 |
Energy (hartrees) | |
---|---|
frozen core | -92.5205766 |
correlated core | -92.6175583 |
difference | -0.0969817 |
Energy (hartrees) | |
---|---|
frozen core | -92.5205766 |
correlated core | -92.6175583 |
difference | -0.0969817 |