III.G.10.a. |
Energy differences between frozen core and full core for CCSD/daug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -579.0926619 |
correlated core | -579.1081586 |
difference | -0.0154967 |
Energy (hartrees) | |
---|---|
frozen core | -579.1278513 |
correlated core | -579.1423610 |
difference | -0.0145096 |
Energy (hartrees) | |
---|---|
frozen core | -579.1587965 |
correlated core | -579.1739139 |
difference | -0.0151174 |
Energy (hartrees) | |
---|---|
frozen core | -579.1411017 |
correlated core | -579.1561151 |
difference | -0.0150134 |