III.G.10.a. |
Energy differences between frozen core and full core for CCSD/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -534.7172801 |
correlated core | -534.7605517 |
difference | -0.0432716 |
Energy (hartrees) | |
---|---|
frozen core | -534.7172801 |
correlated core | -534.7605517 |
difference | -0.0432716 |
Energy (hartrees) | |
---|---|
frozen core | -534.7172801 |
correlated core | -534.7605516 |
difference | -0.0432716 |
Energy (hartrees) | |
---|---|
frozen core | -534.7172801 |
correlated core | -534.7605516 |
difference | -0.0432716 |