III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -277.5598531 |
correlated core | -277.5733797 |
difference | -0.0135266 |
Energy (hartrees) | |
---|---|
frozen core | -277.5598531 |
correlated core | -277.5733797 |
difference | -0.0135266 |
Energy (hartrees) | |
---|---|
frozen core | -277.5598531 |
correlated core | -277.5733797 |
difference | -0.0135266 |
Energy (hartrees) | |
---|---|
frozen core | -277.5598531 |
correlated core | -277.5733797 |
difference | -0.0135266 |
Energy (hartrees) | |
---|---|
frozen core | -277.5600046 |
correlated core | -277.5735920 |
difference | -0.0135875 |
Energy (hartrees) | |
---|---|
frozen core | -277.5600046 |
correlated core | -277.5735920 |
difference | -0.0135875 |
Energy (hartrees) | |
---|---|
frozen core | -277.5600046 |
correlated core | -277.5735920 |
difference | -0.0135875 |
Energy (hartrees) | |
---|---|
frozen core | -277.5600046 |
correlated core | -277.5735920 |
difference | -0.0135875 |