III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -76.3423258 |
correlated core | -76.3575308 |
difference | -0.0152050 |
Energy (hartrees) | |
---|---|
frozen core | -76.3423258 |
correlated core | -76.3575309 |
difference | -0.0152051 |
Energy (hartrees) | |
---|---|
frozen core | -76.3423256 |
correlated core | -76.3575308 |
difference | -0.0152053 |
Energy (hartrees) | |
---|---|
frozen core | -76.3423256 |
correlated core | -76.3575309 |
difference | -0.0152053 |