III.G.10.a. |
Energy differences between frozen core and full core for CCSD/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -340.7903163 |
correlated core | -340.7957461 |
difference | -0.0054298 |
Energy (hartrees) | |
---|---|
frozen core | -340.7903163 |
correlated core | -340.7957468 |
difference | -0.0054305 |
Energy (hartrees) | |
---|---|
frozen core | -340.7903163 |
correlated core | -340.7957461 |
difference | -0.0054298 |
Energy (hartrees) | |
---|---|
frozen core | -340.7903163 |
correlated core | -340.7957468 |
difference | -0.0054305 |
Energy (hartrees) | |
---|---|
frozen core | -340.7903168 |
correlated core | -340.7957461 |
difference | -0.0054293 |
Energy (hartrees) | |
---|---|
frozen core | -340.7903168 |
correlated core | -340.7957468 |
difference | -0.0054300 |