III.G.10.a. |
Energy differences between frozen core and full core for CCSD/aug-cc-pVDZ
For (hydrogen diselenide)Energy (hartrees) | |
---|---|
frozen core | -1923.8596479 |
correlated core | -1923.8677570 |
difference | -0.0081091 |
Energy (hartrees) | |
---|---|
frozen core | -1923.8596479 |
correlated core | -1923.8677570 |
difference | -0.0081091 |
Energy (hartrees) | |
---|---|
frozen core | -1923.8596479 |
correlated core | -1923.8677570 |
difference | -0.0081091 |
Energy (hartrees) | |
---|---|
frozen core | -1923.8596479 |
correlated core | -1923.8677570 |
difference | -0.0081091 |