III.G.10.a. |
Energy differences between frozen core and full core for CCSD/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -188.8074221 |
correlated core | -188.8471994 |
difference | -0.0397773 |
Energy (hartrees) | |
---|---|
frozen core | -188.8074218 |
correlated core | -188.8471994 |
difference | -0.0397775 |
Energy (hartrees) | |
---|---|
frozen core | -188.8097881 |
correlated core | -188.8494332 |
difference | -0.0396451 |
Energy (hartrees) | |
---|---|
frozen core | -188.8097880 |
correlated core | -188.8494332 |
difference | -0.0396452 |