III.G.10.a. |
Energy differences between frozen core and full core for CCSD/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -1998.3147378 |
correlated core | -1998.3252911 |
difference | -0.0105533 |
Energy (hartrees) | |
---|---|
frozen core | -1998.3147376 |
correlated core | -1998.3252911 |
difference | -0.0105535 |
Energy (hartrees) | |
---|---|
frozen core | -1998.3147378 |
correlated core | -1998.3252910 |
difference | -0.0105532 |
Energy (hartrees) | |
---|---|
frozen core | -1998.3147376 |
correlated core | -1998.3252910 |
difference | -0.0105534 |