III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -452.2416302 |
correlated core | -452.2515098 |
difference | -0.0098796 |
Energy (hartrees) | |
---|---|
frozen core | -452.2416302 |
correlated core | -452.2515096 |
difference | -0.0098794 |
Energy (hartrees) | |
---|---|
frozen core | -452.2416300 |
correlated core | -452.2515098 |
difference | -0.0098798 |
Energy (hartrees) | |
---|---|
frozen core | -452.2416300 |
correlated core | -452.2515096 |
difference | -0.0098796 |