III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/TZVP
For ()Energy (hartrees) | |
---|---|
frozen core | -2075.2068210 |
correlated core | -2075.3298339 |
difference | -0.1230129 |
Energy (hartrees) | |
---|---|
frozen core | -2075.2068210 |
correlated core | -2075.3298339 |
difference | -0.1230129 |
Energy (hartrees) | |
---|---|
frozen core | -2075.2068210 |
correlated core | -2075.3298339 |
difference | -0.1230129 |
Energy (hartrees) | |
---|---|
frozen core | -2075.2068210 |
correlated core | -2075.3298339 |
difference | -0.1230129 |