III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -291.3649953 |
correlated core | -291.3746135 |
difference | -0.0096182 |
Energy (hartrees) | |
---|---|
frozen core | -291.3649951 |
correlated core | -291.3746135 |
difference | -0.0096183 |
Energy (hartrees) | |
---|---|
frozen core | -291.3649951 |
correlated core | -291.3746135 |
difference | -0.0096183 |
Energy (hartrees) | |
---|---|
frozen core | -291.3649953 |
correlated core | -291.3746135 |
difference | -0.0096182 |
Energy (hartrees) | |
---|---|
frozen core | -291.3649951 |
correlated core | -291.3746135 |
difference | -0.0096183 |
Energy (hartrees) | |
---|---|
frozen core | -291.3649951 |
correlated core | -291.3746135 |
difference | -0.0096183 |