III.G.10.a. |
Energy differences between frozen core and full core for MP2/3-21G*
For ()Energy (hartrees) | |
---|---|
frozen core | -89.7421816 |
correlated core | -89.7432411 |
difference | -0.0010595 |
Energy (hartrees) | |
---|---|
frozen core | -89.7421816 |
correlated core | -89.7432411 |
difference | -0.0010595 |
Energy (hartrees) | |
---|---|
frozen core | -89.7421816 |
correlated core | -89.7448640 |
difference | -0.0026824 |