III.G.10.a. |
Energy differences between frozen core and full core for CCSD/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -79.6659683 |
correlated core | -79.7046920 |
difference | -0.0387236 |
Energy (hartrees) | |
---|---|
frozen core | -79.6659683 |
correlated core | -79.7046920 |
difference | -0.0387237 |
Energy (hartrees) | |
---|---|
frozen core | -79.6659683 |
correlated core | -79.7046920 |
difference | -0.0387237 |
Energy (hartrees) | |
---|---|
frozen core | -79.6659683 |
correlated core | -79.7046920 |
difference | -0.0387237 |
Energy (hartrees) | |
---|---|
frozen core | -79.6615008 |
correlated core | -79.7004587 |
difference | -0.0389579 |