III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -98.9987271 |
correlated core | -99.0289611 |
difference | -0.0302340 |
Energy (hartrees) | |
---|---|
frozen core | -98.9987271 |
correlated core | -99.0289610 |
difference | -0.0302339 |
Energy (hartrees) | |
---|---|
frozen core | -98.9987271 |
correlated core | -99.0289611 |
difference | -0.0302340 |
Energy (hartrees) | |
---|---|
frozen core | -98.9987271 |
correlated core | -99.0289610 |
difference | -0.0302340 |