III.G.10.a. |
Energy differences between frozen core and full core for CCSD/cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -139.7474198 |
correlated core | -139.8344372 |
difference | -0.0870174 |
Energy (hartrees) | |
---|---|
frozen core | -139.7474196 |
correlated core | -139.8344372 |
difference | -0.0870176 |
Energy (hartrees) | |
---|---|
frozen core | -139.7474198 |
correlated core | -139.8344371 |
difference | -0.0870173 |
Energy (hartrees) | |
---|---|
frozen core | -139.7474196 |
correlated core | -139.8344371 |
difference | -0.0870175 |