III.G.10.a. |
Energy differences between frozen core and full core for CCSD/TZVP
For ()Energy (hartrees) | |
---|---|
frozen core | -1923.6837610 |
correlated core | -1923.8046543 |
difference | -0.1208933 |
Energy (hartrees) | |
---|---|
frozen core | -1923.6837610 |
correlated core | -1923.8046543 |
difference | -0.1208933 |
Energy (hartrees) | |
---|---|
frozen core | -1923.6837610 |
correlated core | -1923.8046543 |
difference | -0.1208933 |
Energy (hartrees) | |
---|---|
frozen core | -1923.6837610 |
correlated core | -1923.8046543 |
difference | -0.1208933 |