III.G.10.a. |
Energy differences between frozen core and full core for CCSD/6-311+G(3df,2p)
For ()Energy (hartrees) | |
---|---|
frozen core | -76.3237609 |
correlated core | -76.3468577 |
difference | -0.0230968 |
Energy (hartrees) | |
---|---|
frozen core | -76.3237609 |
correlated core | -76.3232774 |
difference | 0.0004835 |
Energy (hartrees) | |
---|---|
frozen core | -76.3237609 |
correlated core | -76.3468577 |
difference | -0.0230968 |
Energy (hartrees) | |
---|---|
frozen core | -76.3005826 |
correlated core | -76.3468577 |
difference | -0.0462751 |
Energy (hartrees) | |
---|---|
frozen core | -76.3005826 |
correlated core | -76.3232774 |
difference | -0.0226948 |
Energy (hartrees) | |
---|---|
frozen core | -76.3005826 |
correlated core | -76.3468577 |
difference | -0.0462751 |
Energy (hartrees) | |
---|---|
frozen core | -76.3237609 |
correlated core | -76.3468577 |
difference | -0.0230968 |
Energy (hartrees) | |
---|---|
frozen core | -76.3237609 |
correlated core | -76.3232774 |
difference | 0.0004835 |
Energy (hartrees) | |
---|---|
frozen core | -76.3237609 |
correlated core | -76.3468577 |
difference | -0.0230968 |