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 | -534.7287847 |
correlated core | -534.8452854 |
difference | -0.1165007 |
Energy (hartrees) | |
---|---|
frozen core | -534.7287847 |
correlated core | -534.8452854 |
difference | -0.1165007 |
Energy (hartrees) | |
---|---|
frozen core | -534.7287847 |
correlated core | -534.8452854 |
difference | -0.1165007 |