III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -498.7999392 |
correlated core | -498.8089252 |
difference | -0.0089860 |
Energy (hartrees) | |
---|---|
frozen core | -498.7999392 |
correlated core | -498.8089252 |
difference | -0.0089860 |
Energy (hartrees) | |
---|---|
frozen core | -498.7999392 |
correlated core | -498.8089252 |
difference | -0.0089860 |
Energy (hartrees) | |
---|---|
frozen core | -498.7999392 |
correlated core | -498.8089252 |
difference | -0.0089860 |
Energy (hartrees) | |
---|---|
frozen core | -498.7999239 |
correlated core | -498.8089148 |
difference | -0.0089909 |