III.G.10.a. |
Energy differences between frozen core and full core for MP4/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -129.6263627 |
correlated core | -129.6306392 |
difference | -0.0042764 |
Energy (hartrees) | |
---|---|
frozen core | -129.6263627 |
correlated core | -129.6306392 |
difference | -0.0042764 |
Energy (hartrees) | |
---|---|
frozen core | -129.6263627 |
correlated core | -129.6306392 |
difference | -0.0042764 |
Energy (hartrees) | |
---|---|
frozen core | -129.6263627 |
correlated core | -129.6306392 |
difference | -0.0042764 |