III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -113.1621936 |
correlated core | -113.1918369 |
difference | -0.0296433 |
Energy (hartrees) | |
---|---|
frozen core | -113.1621936 |
correlated core | -113.1918366 |
difference | -0.0296430 |
Energy (hartrees) | |
---|---|
frozen core | -113.1621933 |
correlated core | -113.1918369 |
difference | -0.0296436 |
Energy (hartrees) | |
---|---|
frozen core | -113.1621933 |
correlated core | -113.1918366 |
difference | -0.0296433 |