III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pCVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -534.7084168 |
correlated core | -535.0990452 |
difference | -0.3906284 |
Energy (hartrees) | |
---|---|
frozen core | -534.7084168 |
correlated core | -535.0990452 |
difference | -0.3906284 |
Energy (hartrees) | |
---|---|
frozen core | -534.7084168 |
correlated core | -535.0990452 |
difference | -0.3906284 |
Energy (hartrees) | |
---|---|
frozen core | -534.7084168 |
correlated core | -535.0990452 |
difference | -0.3906284 |