III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -225.3962675 |
correlated core | -225.4404722 |
difference | -0.0442047 |
Energy (hartrees) | |
---|---|
frozen core | -225.3909924 |
correlated core | -225.4404722 |
difference | -0.0494799 |
Energy (hartrees) | |
---|---|
frozen core | -225.3962675 |
correlated core | -225.4350245 |
difference | -0.0387569 |
Energy (hartrees) | |
---|---|
frozen core | -225.3909924 |
correlated core | -225.4350245 |
difference | -0.0440321 |
Energy (hartrees) | |
---|---|
frozen core | -225.3962668 |
correlated core | -225.4404718 |
difference | -0.0442050 |