III.G.10.a. |
Energy differences between frozen core and full core for CCSD/6-311+G(3df,2pd)
For ()Energy (hartrees) | |
---|---|
frozen core | -99.6136198 |
correlated core | -99.6367074 |
difference | -0.0230875 |
Energy (hartrees) | |
---|---|
frozen core | -99.6136198 |
correlated core | -99.6367074 |
difference | -0.0230875 |
Energy (hartrees) | |
---|---|
frozen core | -99.6136198 |
correlated core | -99.6367073 |
difference | -0.0230875 |
Energy (hartrees) | |
---|---|
frozen core | -99.6136198 |
correlated core | -99.6367073 |
difference | -0.0230875 |