III.G.10.a. |
Energy differences between frozen core and full core for CCSD/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -1923.2646247 |
correlated core | -1923.2716808 |
difference | -0.0070561 |
Energy (hartrees) | |
---|---|
frozen core | -1923.2646247 |
correlated core | -1923.2716808 |
difference | -0.0070561 |
Energy (hartrees) | |
---|---|
frozen core | -1923.2646247 |
correlated core | -1923.2716808 |
difference | -0.0070561 |
Energy (hartrees) | |
---|---|
frozen core | -1923.2646247 |
correlated core | -1923.2716808 |
difference | -0.0070561 |