III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -2075.2115279 |
correlated core | -2075.2661461 |
difference | -0.0546182 |
Energy (hartrees) | |
---|---|
frozen core | -2075.2115279 |
correlated core | -2075.2661463 |
difference | -0.0546184 |
Energy (hartrees) | |
---|---|
frozen core | -2075.2115278 |
correlated core | -2075.2661461 |
difference | -0.0546183 |
Energy (hartrees) | |
---|---|
frozen core | -2075.2115278 |
correlated core | -2075.2661463 |
difference | -0.0546185 |