III.G.10.a. |
Energy differences between frozen core and full core for CCSD/6-31G(2df,p)
For ()Energy (hartrees) | |
---|---|
frozen core | -2021.2665484 |
correlated core | -2021.3527524 |
difference | -0.0862040 |
Energy (hartrees) | |
---|---|
frozen core | -2021.2665484 |
correlated core | -2021.3527524 |
difference | -0.0862040 |
Energy (hartrees) | |
---|---|
frozen core | -2021.2665484 |
correlated core | -2021.3527525 |
difference | -0.0862041 |
Energy (hartrees) | |
---|---|
frozen core | -2021.2665484 |
correlated core | -2021.3527525 |
difference | -0.0862041 |