III.G.10.a. |
Energy differences between frozen core and full core for CCSD/6-311G*
For ()Energy (hartrees) | |
---|---|
frozen core | -340.7829976 |
correlated core | -340.9058816 |
difference | -0.1228840 |
Energy (hartrees) | |
---|---|
frozen core | -340.7829976 |
correlated core | -340.9058816 |
difference | -0.1228840 |
Energy (hartrees) | |
---|---|
frozen core | -340.7829982 |
correlated core | -340.9058816 |
difference | -0.1228833 |