III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pCVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -534.5469812 |
correlated core | -534.7980139 |
difference | -0.2510327 |
Energy (hartrees) | |
---|---|
frozen core | -534.5469812 |
correlated core | -534.7980139 |
difference | -0.2510327 |
Energy (hartrees) | |
---|---|
frozen core | -534.5469810 |
correlated core | -534.7980139 |
difference | -0.2510329 |
Energy (hartrees) | |
---|---|
frozen core | -534.5469812 |
correlated core | -534.7980139 |
difference | -0.2510327 |
Energy (hartrees) | |
---|---|
frozen core | -534.5469812 |
correlated core | -534.7980139 |
difference | -0.2510327 |
Energy (hartrees) | |
---|---|
frozen core | -534.5469810 |
correlated core | -534.7980139 |
difference | -0.2510329 |
Energy (hartrees) | |
---|---|
frozen core | -534.5469812 |
correlated core | -534.7980136 |
difference | -0.2510324 |
Energy (hartrees) | |
---|---|
frozen core | -534.5469812 |
correlated core | -534.7980136 |
difference | -0.2510324 |
Energy (hartrees) | |
---|---|
frozen core | -534.5469810 |
correlated core | -534.7980136 |
difference | -0.2510326 |