III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pCVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -483.9133680 |
correlated core | -484.5487245 |
difference | -0.6353564 |
Energy (hartrees) | |
---|---|
frozen core | -483.9133680 |
correlated core | -484.5487245 |
difference | -0.6353564 |
Energy (hartrees) | |
---|---|
frozen core | -483.9133680 |
correlated core | -484.5487245 |
difference | -0.6353564 |
Energy (hartrees) | |
---|---|
frozen core | -483.9133680 |
correlated core | -484.5487245 |
difference | -0.6353564 |