III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -288.9657079 |
correlated core | -288.9713617 |
difference | -0.0056538 |
Energy (hartrees) | |
---|---|
frozen core | -288.9657078 |
correlated core | -288.9713617 |
difference | -0.0056539 |
Energy (hartrees) | |
---|---|
frozen core | -288.9657079 |
correlated core | -288.9713615 |
difference | -0.0056536 |
Energy (hartrees) | |
---|---|
frozen core | -288.9657078 |
correlated core | -288.9713615 |
difference | -0.0056537 |