III.G.10.a. |
Energy differences between frozen core and full core for CCSD/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -1923.5521843 |
correlated core | -1923.5589702 |
difference | -0.0067859 |
Energy (hartrees) | |
---|---|
frozen core | -1923.5521843 |
correlated core | -1923.5589702 |
difference | -0.0067859 |
Energy (hartrees) | |
---|---|
frozen core | -1923.5521843 |
correlated core | -1923.5589702 |
difference | -0.0067859 |
Energy (hartrees) | |
---|---|
frozen core | -1923.5521843 |
correlated core | -1923.5589702 |
difference | -0.0067859 |