III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -579.0628702 |
correlated core | -579.0788424 |
difference | -0.0159722 |
Energy (hartrees) | |
---|---|
frozen core | -579.0948422 |
correlated core | -579.1101331 |
difference | -0.0152909 |
Energy (hartrees) | |
---|---|
frozen core | -579.1227865 |
correlated core | -579.1382998 |
difference | -0.0155133 |
Energy (hartrees) | |
---|---|
frozen core | -579.1080314 |
correlated core | -579.1235646 |
difference | -0.0155332 |