III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -340.7637465 |
correlated core | -340.7737340 |
difference | -0.0099875 |
Energy (hartrees) | |
---|---|
frozen core | -340.7637465 |
correlated core | -340.7737340 |
difference | -0.0099875 |
Energy (hartrees) | |
---|---|
frozen core | -340.7637465 |
correlated core | -340.7737458 |
difference | -0.0099994 |
Energy (hartrees) | |
---|---|
frozen core | -340.7637465 |
correlated core | -340.7737340 |
difference | -0.0099875 |
Energy (hartrees) | |
---|---|
frozen core | -340.7637465 |
correlated core | -340.7737340 |
difference | -0.0099875 |
Energy (hartrees) | |
---|---|
frozen core | -340.7637465 |
correlated core | -340.7737458 |
difference | -0.0099994 |
Energy (hartrees) | |
---|---|
frozen core | -340.7637583 |
correlated core | -340.7737340 |
difference | -0.0099757 |
Energy (hartrees) | |
---|---|
frozen core | -340.7637583 |
correlated core | -340.7737340 |
difference | -0.0099757 |
Energy (hartrees) | |
---|---|
frozen core | -340.7637583 |
correlated core | -340.7737458 |
difference | -0.0099875 |