III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/aug-cc-pVDZ
For (methyltrichlorosilane)Energy (hartrees) | |
---|---|
frozen core | -114.4042969 |
correlated core | -114.4079376 |
difference | -0.0036406 |
Energy (hartrees) | |
---|---|
frozen core | -114.4042969 |
correlated core | -114.4079376 |
difference | -0.0036406 |