III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -114.2110046 |
correlated core | -114.2157945 |
difference | -0.0047899 |
Energy (hartrees) | |
---|---|
frozen core | -114.2110046 |
correlated core | -114.2157945 |
difference | -0.0047899 |
Energy (hartrees) | |
---|---|
frozen core | -114.2109560 |
correlated core | -114.2157559 |
difference | -0.0047999 |