III.G.10.a. |
Energy differences between frozen core and full core for CCSD/aug-cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -2150.7902946 |
correlated core | -2150.8914727 |
difference | -0.1011781 |
Energy (hartrees) | |
---|---|
frozen core | -2150.7902946 |
correlated core | -2150.8914727 |
difference | -0.1011781 |
Energy (hartrees) | |
---|---|
frozen core | -2150.7902946 |
correlated core | -2150.8914726 |
difference | -0.1011780 |
Energy (hartrees) | |
---|---|
frozen core | -2150.7902946 |
correlated core | -2150.8914726 |
difference | -0.1011780 |