III.G.10.a. |
Energy differences between frozen core and full core for MP2/STO-3G
For ()Energy (hartrees) | |
---|---|
frozen core | -2052.8624594 |
correlated core | -2052.8635335 |
difference | -0.0010741 |
Energy (hartrees) | |
---|---|
frozen core | -2052.8624595 |
correlated core | -2052.8635335 |
difference | -0.0010740 |
Energy (hartrees) | |
---|---|
frozen core | -2052.8624594 |
correlated core | -2052.8635336 |
difference | -0.0010742 |
Energy (hartrees) | |
---|---|
frozen core | -2052.8624595 |
correlated core | -2052.8635336 |
difference | -0.0010741 |