III.G.10.a. |
Energy differences between frozen core and full core for CCSD/aug-cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -76.3542162 |
correlated core | -76.3856401 |
difference | -0.0314239 |
Energy (hartrees) | |
---|---|
frozen core | -76.3309513 |
correlated core | -76.3856401 |
difference | -0.0546888 |
Energy (hartrees) | |
---|---|
frozen core | -76.3542162 |
correlated core | -76.3856401 |
difference | -0.0314239 |
Energy (hartrees) | |
---|---|
frozen core | -76.3542162 |
correlated core | -76.3856401 |
difference | -0.0314239 |
Energy (hartrees) | |
---|---|
frozen core | -76.3309513 |
correlated core | -76.3856401 |
difference | -0.0546888 |
Energy (hartrees) | |
---|---|
frozen core | -76.3542162 |
correlated core | -76.3856401 |
difference | -0.0314239 |
Energy (hartrees) | |
---|---|
frozen core | -76.3542162 |
correlated core | -76.3856401 |
difference | -0.0314239 |
Energy (hartrees) | |
---|---|
frozen core | -76.3309513 |
correlated core | -76.3856401 |
difference | -0.0546889 |
Energy (hartrees) | |
---|---|
frozen core | -76.3542162 |
correlated core | -76.3856401 |
difference | -0.0314239 |