III.G.10.a. |
Energy differences between frozen core and full core for CCSD/aug-cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -79.6856142 |
correlated core | -79.7463160 |
difference | -0.0607018 |
Energy (hartrees) | |
---|---|
frozen core | -79.6856332 |
correlated core | -79.7463160 |
difference | -0.0606828 |
Energy (hartrees) | |
---|---|
frozen core | -79.6856142 |
correlated core | -79.7464031 |
difference | -0.0607889 |
Energy (hartrees) | |
---|---|
frozen core | -79.6856332 |
correlated core | -79.7464031 |
difference | -0.0607699 |
Energy (hartrees) | |
---|---|
frozen core | -79.6811824 |
correlated core | -79.7420169 |
difference | -0.0608345 |