III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -225.2119978 |
correlated core | -225.2183359 |
difference | -0.0063381 |
Energy (hartrees) | |
---|---|
frozen core | -225.2065065 |
correlated core | -225.2183359 |
difference | -0.0118295 |
Energy (hartrees) | |
---|---|
frozen core | -225.2119978 |
correlated core | -225.2128292 |
difference | -0.0008314 |
Energy (hartrees) | |
---|---|
frozen core | -225.2065065 |
correlated core | -225.2128292 |
difference | -0.0063227 |
Energy (hartrees) | |
---|---|
frozen core | -225.2119981 |
correlated core | -225.2183358 |
difference | -0.0063377 |