III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/aug-cc-pVDZ
For (Gallium trifluoride)Energy (hartrees) | |
---|---|
frozen core | -184.2708464 |
correlated core | -184.2661702 |
difference | 0.0046762 |
Energy (hartrees) | |
---|---|
frozen core | -184.2708464 |
correlated core | -184.2661702 |
difference | 0.0046762 |
Energy (hartrees) | |
---|---|
frozen core | -184.2708464 |
correlated core | -184.2661702 |
difference | 0.0046762 |
Energy (hartrees) | |
---|---|
frozen core | -184.2708464 |
correlated core | -184.2661702 |
difference | 0.0046762 |