III.G.10.a. |
Energy differences between frozen core and full core for CCSD/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -26.0929856 |
correlated core | -26.1082582 |
difference | -0.0152727 |
Energy (hartrees) | |
---|---|
frozen core | -26.0929856 |
correlated core | -26.1082582 |
difference | -0.0152727 |
Energy (hartrees) | |
---|---|
frozen core | -26.0929855 |
correlated core | -26.1082582 |
difference | -0.0152727 |
Energy (hartrees) | |
---|---|
frozen core | -26.0929855 |
correlated core | -26.1082582 |
difference | -0.0152727 |
Energy (hartrees) | |
---|---|
frozen core | -26.0872524 |
correlated core | -26.1026064 |
difference | -0.0153541 |