III.G.10.a. |
Energy differences between frozen core and full core for CCSD/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -2272.6293654 |
correlated core | -2272.6689689 |
difference | -0.0396035 |
Energy (hartrees) | |
---|---|
frozen core | -2272.6293655 |
correlated core | -2272.6689689 |
difference | -0.0396034 |
Energy (hartrees) | |
---|---|
frozen core | -2272.6293654 |
correlated core | -2272.6689689 |
difference | -0.0396035 |
Energy (hartrees) | |
---|---|
frozen core | -2272.6293655 |
correlated core | -2272.6689689 |
difference | -0.0396034 |