III.G.10.a. |
Energy differences between frozen core and full core for CCSD/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -115.0303133 |
correlated core | -115.0347246 |
difference | -0.0044114 |
Energy (hartrees) | |
---|---|
frozen core | -115.0303133 |
correlated core | -115.0347248 |
difference | -0.0044115 |
Energy (hartrees) | |
---|---|
frozen core | -115.0303134 |
correlated core | -115.0347246 |
difference | -0.0044112 |
Energy (hartrees) | |
---|---|
frozen core | -115.0303134 |
correlated core | -115.0347248 |
difference | -0.0044114 |
Energy (hartrees) | |
---|---|
frozen core | -115.0309159 |
correlated core | -115.0353338 |
difference | -0.0044179 |