III.G.10.a. |
Energy differences between frozen core and full core for CCSD/daug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -460.2689554 |
correlated core | -460.2755625 |
difference | -0.0066070 |
Energy (hartrees) | |
---|---|
frozen core | -460.2689554 |
correlated core | -460.2755625 |
difference | -0.0066070 |
Energy (hartrees) | |
---|---|
frozen core | -460.2689554 |
correlated core | -460.2755625 |
difference | -0.0066070 |
Energy (hartrees) | |
---|---|
frozen core | -460.2689554 |
correlated core | -460.2755625 |
difference | -0.0066070 |