III.G.10.a. |
Energy differences between frozen core and full core for MP2/STO-3G
For ()Energy (hartrees) | |
---|---|
frozen core | -77.7519723 |
correlated core | -77.7527799 |
difference | -0.0008076 |
Energy (hartrees) | |
---|---|
frozen core | -77.7519723 |
correlated core | -77.7527799 |
difference | -0.0008076 |
Energy (hartrees) | |
---|---|
frozen core | -77.7519723 |
correlated core | -77.7527799 |
difference | -0.0008077 |
Energy (hartrees) | |
---|---|
frozen core | -77.7519723 |
correlated core | -77.7527799 |
difference | -0.0008076 |
Energy (hartrees) | |
---|---|
frozen core | -77.7519723 |
correlated core | -77.7527799 |
difference | -0.0008076 |
Energy (hartrees) | |
---|---|
frozen core | -77.7519723 |
correlated core | -77.7527799 |
difference | -0.0008077 |