III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -93.2047106 |
correlated core | -93.2094951 |
difference | -0.0047845 |
Energy (hartrees) | |
---|---|
frozen core | -93.2047106 |
correlated core | -93.2094951 |
difference | -0.0047845 |
Energy (hartrees) | |
---|---|
frozen core | -93.2047106 |
correlated core | -93.2094951 |
difference | -0.0047845 |
Energy (hartrees) | |
---|---|
frozen core | -93.2047106 |
correlated core | -93.2094951 |
difference | -0.0047845 |