III.G.10.a. |
Energy differences between frozen core and full core for CCSD/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -2075.0821374 |
correlated core | -2075.0906985 |
difference | -0.0085611 |
Energy (hartrees) | |
---|---|
frozen core | -2075.0821374 |
correlated core | -2075.0906995 |
difference | -0.0085621 |
Energy (hartrees) | |
---|---|
frozen core | -2075.0821384 |
correlated core | -2075.0906985 |
difference | -0.0085601 |
Energy (hartrees) | |
---|---|
frozen core | -2075.0821384 |
correlated core | -2075.0906995 |
difference | -0.0085611 |