III.G.10.a. |
Energy differences between frozen core and full core for CCSD/TZVP
For (disilane)Energy (hartrees) | |
---|---|
frozen core | -1923.9870658 |
correlated core | -1924.1073758 |
difference | -0.1203100 |
Energy (hartrees) | |
---|---|
frozen core | -1923.9870657 |
correlated core | -1924.1073758 |
difference | -0.1203101 |
Energy (hartrees) | |
---|---|
frozen core | -1923.9870658 |
correlated core | -1924.1073758 |
difference | -0.1203100 |
Energy (hartrees) | |
---|---|
frozen core | -1923.9870657 |
correlated core | -1924.1073758 |
difference | -0.1203101 |