III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -79.6597464 |
correlated core | -79.7179615 |
difference | -0.0582151 |
Energy (hartrees) | |
---|---|
frozen core | -79.6597464 |
correlated core | -79.7179615 |
difference | -0.0582151 |
Energy (hartrees) | |
---|---|
frozen core | -79.6597465 |
correlated core | -79.7179615 |
difference | -0.0582151 |
Energy (hartrees) | |
---|---|
frozen core | -79.6597464 |
correlated core | -79.7179615 |
difference | -0.0582151 |
Energy (hartrees) | |
---|---|
frozen core | -79.6597464 |
correlated core | -79.7179615 |
difference | -0.0582151 |
Energy (hartrees) | |
---|---|
frozen core | -79.6597465 |
correlated core | -79.7179615 |
difference | -0.0582150 |
Energy (hartrees) | |
---|---|
frozen core | -79.6597464 |
correlated core | -79.7179614 |
difference | -0.0582150 |
Energy (hartrees) | |
---|---|
frozen core | -79.6597464 |
correlated core | -79.7179614 |
difference | -0.0582150 |
Energy (hartrees) | |
---|---|
frozen core | -79.6597465 |
correlated core | -79.7179614 |
difference | -0.0582150 |
Energy (hartrees) | |
---|---|
frozen core | -79.6552374 |
correlated core | -79.7134943 |
difference | -0.0582569 |