III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/aug-cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -225.4529334 |
correlated core | -225.5454404 |
difference | -0.0925070 |
Energy (hartrees) | |
---|---|
frozen core | -225.4476982 |
correlated core | -225.5454404 |
difference | -0.0977422 |
Energy (hartrees) | |
---|---|
frozen core | -225.4529334 |
correlated core | -225.5401490 |
difference | -0.0872156 |
Energy (hartrees) | |
---|---|
frozen core | -225.4476982 |
correlated core | -225.5401490 |
difference | -0.0924508 |
Energy (hartrees) | |
---|---|
frozen core | -225.4349223 |
correlated core | -225.5454355 |
difference | -0.1105132 |