III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/6-311G*
For ()Energy (hartrees) | |
---|---|
frozen core | -109.3105958 |
correlated core | -109.3486712 |
difference | -0.0380754 |
Energy (hartrees) | |
---|---|
frozen core | -109.3105958 |
correlated core | -109.3486709 |
difference | -0.0380751 |
Energy (hartrees) | |
---|---|
frozen core | -109.3105957 |
correlated core | -109.3486712 |
difference | -0.0380755 |
Energy (hartrees) | |
---|---|
frozen core | -109.3105957 |
correlated core | -109.3486709 |
difference | -0.0380752 |
Energy (hartrees) | |
---|---|
frozen core | -109.3105958 |
correlated core | -109.3486712 |
difference | -0.0380754 |
Energy (hartrees) | |
---|---|
frozen core | -109.3105958 |
correlated core | -109.3486709 |
difference | -0.0380751 |