III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/aug-cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -75.7303361 |
correlated core | -75.7612212 |
difference | -0.0308851 |
Energy (hartrees) | |
---|---|
frozen core | -75.7303358 |
correlated core | -75.7612212 |
difference | -0.0308854 |
Energy (hartrees) | |
---|---|
frozen core | -75.7303361 |
correlated core | -75.7612210 |
difference | -0.0308849 |
Energy (hartrees) | |
---|---|
frozen core | -75.7303358 |
correlated core | -75.7612210 |
difference | -0.0308852 |