III.G.10.a. |
Energy differences between frozen core and full core for CCSD/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -498.7706646 |
correlated core | -498.7781011 |
difference | -0.0074365 |
Energy (hartrees) | |
---|---|
frozen core | -498.7706646 |
correlated core | -498.7781011 |
difference | -0.0074365 |
Energy (hartrees) | |
---|---|
frozen core | -498.7705995 |
correlated core | -498.7780454 |
difference | -0.0074460 |