III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/TZVP
For ()Energy (hartrees) | |
---|---|
frozen core | -79.6197876 |
correlated core | -79.6556439 |
difference | -0.0358562 |
Energy (hartrees) | |
---|---|
frozen core | -79.6197877 |
correlated core | -79.6556439 |
difference | -0.0358562 |
Energy (hartrees) | |
---|---|
frozen core | -79.6197876 |
correlated core | -79.6556439 |
difference | -0.0358563 |
Energy (hartrees) | |
---|---|
frozen core | -79.6197877 |
correlated core | -79.6556439 |
difference | -0.0358562 |
Energy (hartrees) | |
---|---|
frozen core | -79.6149005 |
correlated core | -79.6507578 |
difference | -0.0358573 |