III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -498.7329272 |
correlated core | -498.7465945 |
difference | -0.0136673 |
Energy (hartrees) | |
---|---|
frozen core | -498.7329272 |
correlated core | -498.7465945 |
difference | -0.0136673 |
Energy (hartrees) | |
---|---|
frozen core | -498.7329272 |
correlated core | -498.7465945 |
difference | -0.0136673 |
Energy (hartrees) | |
---|---|
frozen core | -498.7329272 |
correlated core | -498.7465945 |
difference | -0.0136673 |
Energy (hartrees) | |
---|---|
frozen core | -498.7329100 |
correlated core | -498.7465823 |
difference | -0.0136723 |