III.G.10.a. |
Energy differences between frozen core and full core for CCSD/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -188.6326820 |
correlated core | -188.6385762 |
difference | -0.0058942 |
Energy (hartrees) | |
---|---|
frozen core | -188.6326817 |
correlated core | -188.6385762 |
difference | -0.0058944 |
Energy (hartrees) | |
---|---|
frozen core | -188.6342837 |
correlated core | -188.6401809 |
difference | -0.0058972 |
Energy (hartrees) | |
---|---|
frozen core | -188.6342832 |
correlated core | -188.6401809 |
difference | -0.0058977 |