III.G.10.a. |
Energy differences between frozen core and full core for CCSD/cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -99.0120176 |
correlated core | -99.0426196 |
difference | -0.0306020 |
Energy (hartrees) | |
---|---|
frozen core | -99.0120176 |
correlated core | -99.0426196 |
difference | -0.0306020 |
Energy (hartrees) | |
---|---|
frozen core | -99.0120176 |
correlated core | -99.0426196 |
difference | -0.0306020 |
Energy (hartrees) | |
---|---|
frozen core | -99.0120176 |
correlated core | -99.0426196 |
difference | -0.0306020 |