III.G.10.a. |
Energy differences between frozen core and full core for CCSD/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -2075.0790689 |
correlated core | -2075.0864544 |
difference | -0.0073855 |
Energy (hartrees) | |
---|---|
frozen core | -2075.0790689 |
correlated core | -2075.0864552 |
difference | -0.0073863 |
Energy (hartrees) | |
---|---|
frozen core | -2075.0790697 |
correlated core | -2075.0864544 |
difference | -0.0073847 |
Energy (hartrees) | |
---|---|
frozen core | -2075.0790697 |
correlated core | -2075.0864552 |
difference | -0.0073855 |