III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/6-311+G(3df,2p)
For ()Energy (hartrees) | |
---|---|
frozen core | -579.1500152 |
correlated core | -579.4798387 |
difference | -0.3298235 |
Energy (hartrees) | |
---|---|
frozen core | -579.1834578 |
correlated core | -579.5135934 |
difference | -0.3301356 |
Energy (hartrees) | |
---|---|
frozen core | -579.2104296 |
correlated core | -579.5419845 |
difference | -0.3315549 |
Energy (hartrees) | |
---|---|
frozen core | -579.1951471 |
correlated core | -579.5262758 |
difference | -0.3311287 |