III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -2075.6234465 |
correlated core | -2075.6544872 |
difference | -0.0310408 |
Energy (hartrees) | |
---|---|
frozen core | -2075.6234463 |
correlated core | -2075.6544872 |
difference | -0.0310409 |
Energy (hartrees) | |
---|---|
frozen core | -2075.6234465 |
correlated core | -2075.6544872 |
difference | -0.0310408 |
Energy (hartrees) | |
---|---|
frozen core | -2075.6234465 |
correlated core | -2075.6544872 |
difference | -0.0310407 |
Energy (hartrees) | |
---|---|
frozen core | -2075.6234463 |
correlated core | -2075.6544872 |
difference | -0.0310409 |
Energy (hartrees) | |
---|---|
frozen core | -2075.6234465 |
correlated core | -2075.6544872 |
difference | -0.0310408 |