III.G.10.a. |
Energy differences between frozen core and full core for CCSD/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -79.5274769 |
correlated core | -79.5365836 |
difference | -0.0091066 |
Energy (hartrees) | |
---|---|
frozen core | -79.5275068 |
correlated core | -79.5365836 |
difference | -0.0090768 |
Energy (hartrees) | |
---|---|
frozen core | -79.5274769 |
correlated core | -79.5365836 |
difference | -0.0091066 |
Energy (hartrees) | |
---|---|
frozen core | -79.5275068 |
correlated core | -79.5365836 |
difference | -0.0090768 |
Energy (hartrees) | |
---|---|
frozen core | -79.5227233 |
correlated core | -79.5317991 |
difference | -0.0090758 |