III.G.10.a. |
Energy differences between frozen core and full core for CCSD/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -337.4171608 |
correlated core | -337.4283498 |
difference | -0.0111890 |
Energy (hartrees) | |
---|---|
frozen core | -337.4171608 |
correlated core | -337.4283498 |
difference | -0.0111890 |
Energy (hartrees) | |
---|---|
frozen core | -337.4171608 |
correlated core | -337.4283498 |
difference | -0.0111890 |
Energy (hartrees) | |
---|---|
frozen core | -337.4171608 |
correlated core | -337.4283498 |
difference | -0.0111890 |
Energy (hartrees) | |
---|---|
frozen core | -337.4171608 |
correlated core | -337.4283498 |
difference | -0.0111890 |
Energy (hartrees) | |
---|---|
frozen core | -337.4171608 |
correlated core | -337.4283498 |
difference | -0.0111890 |