III.G.10.a. |
Energy differences between frozen core and full core for CCSD/6-31G(2df,p)
For ()Energy (hartrees) | |
---|---|
frozen core | -76.2767029 |
correlated core | -76.2835867 |
difference | -0.0068838 |
Energy (hartrees) | |
---|---|
frozen core | -76.2767029 |
correlated core | -76.2835865 |
difference | -0.0068837 |
Energy (hartrees) | |
---|---|
frozen core | -76.2767029 |
correlated core | -76.2835867 |
difference | -0.0068838 |
Energy (hartrees) | |
---|---|
frozen core | -76.2767027 |
correlated core | -76.2835867 |
difference | -0.0068840 |
Energy (hartrees) | |
---|---|
frozen core | -76.2767027 |
correlated core | -76.2835865 |
difference | -0.0068838 |
Energy (hartrees) | |
---|---|
frozen core | -76.2767027 |
correlated core | -76.2835867 |
difference | -0.0068840 |
Energy (hartrees) | |
---|---|
frozen core | -76.2767027 |
correlated core | -76.2835867 |
difference | -0.0068840 |
Energy (hartrees) | |
---|---|
frozen core | -76.2767027 |
correlated core | -76.2835865 |
difference | -0.0068838 |
Energy (hartrees) | |
---|---|
frozen core | -76.2767027 |
correlated core | -76.2835867 |
difference | -0.0068840 |