III.G.10.a. |
Energy differences between frozen core and full core for CCSD/6-31G*
For (Gallium trifluoride)Energy (hartrees) | |
---|---|
frozen core | -8050.9351222 |
correlated core | -8051.0233327 |
difference | -0.0882105 |
Energy (hartrees) | |
---|---|
frozen core | -8050.9351221 |
correlated core | -8051.0233327 |
difference | -0.0882106 |
Energy (hartrees) | |
---|---|
frozen core | -8050.9351222 |
correlated core | -8051.0233326 |
difference | -0.0882104 |
Energy (hartrees) | |
---|---|
frozen core | -8050.9351221 |
correlated core | -8051.0233326 |
difference | -0.0882105 |