III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -241.9315020 |
correlated core | -241.9966284 |
difference | -0.0651264 |
Energy (hartrees) | |
---|---|
frozen core | -241.9315020 |
correlated core | -241.9966284 |
difference | -0.0651264 |
Energy (hartrees) | |
---|---|
frozen core | -241.9315020 |
correlated core | -241.9966284 |
difference | -0.0651264 |
Energy (hartrees) | |
---|---|
frozen core | -241.9315020 |
correlated core | -241.9966284 |
difference | -0.0651264 |