III.G.10.a. |
Energy differences between frozen core and full core for CCSD/TZVP
For ()Energy (hartrees) | |
---|---|
frozen core | -1923.3833543 |
correlated core | -1923.5035616 |
difference | -0.1202073 |
Energy (hartrees) | |
---|---|
frozen core | -1923.3833543 |
correlated core | -1923.5035616 |
difference | -0.1202073 |
Energy (hartrees) | |
---|---|
frozen core | -1923.3833543 |
correlated core | -1923.5035616 |
difference | -0.1202073 |
Energy (hartrees) | |
---|---|
frozen core | -1923.3833543 |
correlated core | -1923.5035616 |
difference | -0.1202073 |