III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/TZVP
For ()Energy (hartrees) | |
---|---|
frozen core | -95.7866689 |
correlated core | -95.7964629 |
difference | -0.0097940 |
Energy (hartrees) | |
---|---|
frozen core | -95.7866676 |
correlated core | -95.7964629 |
difference | -0.0097954 |
Energy (hartrees) | |
---|---|
frozen core | -95.7866689 |
correlated core | -95.7964616 |
difference | -0.0097927 |
Energy (hartrees) | |
---|---|
frozen core | -95.7866676 |
correlated core | -95.7964616 |
difference | -0.0097941 |