III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -37.7527455 |
correlated core | -37.7561956 |
difference | -0.0034501 |
Energy (hartrees) | |
---|---|
frozen core | -37.7527455 |
correlated core | -37.7561956 |
difference | -0.0034501 |
Energy (hartrees) | |
---|---|
frozen core | -37.7527455 |
correlated core | -37.7561956 |
difference | -0.0034501 |
Energy (hartrees) | |
---|---|
frozen core | -37.7527455 |
correlated core | -37.7561956 |
difference | -0.0034501 |
Energy (hartrees) | |
---|---|
frozen core | -37.7527455 |
correlated core | -37.7561956 |
difference | -0.0034501 |
Energy (hartrees) | |
---|---|
frozen core | -37.7527455 |
correlated core | -37.7561956 |
difference | -0.0034501 |
Energy (hartrees) | |
---|---|
frozen core | -37.7527392 |
correlated core | -37.7561956 |
difference | -0.0034565 |
Energy (hartrees) | |
---|---|
frozen core | -37.7527392 |
correlated core | -37.7561956 |
difference | -0.0034565 |
Energy (hartrees) | |
---|---|
frozen core | -37.7527392 |
correlated core | -37.7561956 |
difference | -0.0034565 |