III.G.10.a. |
Energy differences between frozen core and full core for CCSD/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -93.2626204 |
correlated core | -93.2958448 |
difference | -0.0332243 |
Energy (hartrees) | |
---|---|
frozen core | -93.2626204 |
correlated core | -93.2958448 |
difference | -0.0332243 |
Energy (hartrees) | |
---|---|
frozen core | -93.2626204 |
correlated core | -93.2958448 |
difference | -0.0332243 |
Energy (hartrees) | |
---|---|
frozen core | -93.2626204 |
correlated core | -93.2958448 |
difference | -0.0332243 |