III.G.10.a. |
Energy differences between frozen core and full core for CCSD/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -364.1770578 |
correlated core | -364.2443887 |
difference | -0.0673309 |
Energy (hartrees) | |
---|---|
frozen core | -364.1770578 |
correlated core | -364.2443887 |
difference | -0.0673309 |
Energy (hartrees) | |
---|---|
frozen core | -364.1770578 |
correlated core | -364.2443887 |
difference | -0.0673309 |
Energy (hartrees) | |
---|---|
frozen core | -364.1770578 |
correlated core | -364.2443887 |
difference | -0.0673309 |