III.G.10.a. |
Energy differences between frozen core and full core for CCSD/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -152.6580574 |
correlated core | -152.6852776 |
difference | -0.0272202 |
Energy (hartrees) | |
---|---|
frozen core | -152.6580574 |
correlated core | -152.6852776 |
difference | -0.0272202 |
Energy (hartrees) | |
---|---|
frozen core | -152.6580574 |
correlated core | -152.6852775 |
difference | -0.0272201 |
Energy (hartrees) | |
---|---|
frozen core | -152.6580574 |
correlated core | -152.6852775 |
difference | -0.0272202 |