III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -75.7863792 |
correlated core | -75.8147190 |
difference | -0.0283399 |
Energy (hartrees) | |
---|---|
frozen core | -75.7863792 |
correlated core | -75.8147190 |
difference | -0.0283399 |
Energy (hartrees) | |
---|---|
frozen core | -75.7863792 |
correlated core | -75.8147190 |
difference | -0.0283399 |
Energy (hartrees) | |
---|---|
frozen core | -75.7863792 |
correlated core | -75.8147190 |
difference | -0.0283399 |