III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -79.6353682 |
correlated core | -79.6726850 |
difference | -0.0373169 |
Energy (hartrees) | |
---|---|
frozen core | -79.6353682 |
correlated core | -79.6726850 |
difference | -0.0373169 |
Energy (hartrees) | |
---|---|
frozen core | -79.6353682 |
correlated core | -79.6726850 |
difference | -0.0373169 |
Energy (hartrees) | |
---|---|
frozen core | -79.6353682 |
correlated core | -79.6726853 |
difference | -0.0373171 |
Energy (hartrees) | |
---|---|
frozen core | -79.6353682 |
correlated core | -79.6726853 |
difference | -0.0373171 |
Energy (hartrees) | |
---|---|
frozen core | -79.6353682 |
correlated core | -79.6726853 |
difference | -0.0373171 |
Energy (hartrees) | |
---|---|
frozen core | -79.6353682 |
correlated core | -79.6726853 |
difference | -0.0373171 |
Energy (hartrees) | |
---|---|
frozen core | -79.6353682 |
correlated core | -79.6726853 |
difference | -0.0373171 |
Energy (hartrees) | |
---|---|
frozen core | -79.6353682 |
correlated core | -79.6726853 |
difference | -0.0373171 |
Energy (hartrees) | |
---|---|
frozen core | -79.6307614 |
correlated core | -79.6682889 |
difference | -0.0375275 |
Energy (hartrees) | |
---|---|
frozen core | -79.6307614 |
correlated core | -79.6682888 |
difference | -0.0375273 |