III.G.10.a. |
Energy differences between frozen core and full core for CCSD/aug-cc-pVTZ
For CH3CH2CH2CH3 (Difluoromethylene)Energy (hartrees) | |
---|---|
frozen core | -8059.0825595 |
correlated core | -8059.2645703 |
difference | -0.1820108 |
Energy (hartrees) | |
---|---|
frozen core | -8059.0825595 |
correlated core | -8059.2645703 |
difference | -0.1820108 |