III.G.10.a. |
Energy differences between frozen core and full core for MP2/STO-3G
For ()Energy (hartrees) | |
---|---|
frozen core | -107.6839743 |
correlated core | -107.6843441 |
difference | -0.0003698 |
Energy (hartrees) | |
---|---|
frozen core | -107.6839743 |
correlated core | -107.6843441 |
difference | -0.0003698 |
Energy (hartrees) | |
---|---|
frozen core | -107.6839743 |
correlated core | -107.6843441 |
difference | -0.0003698 |
Energy (hartrees) | |
---|---|
frozen core | -107.6839743 |
correlated core | -107.6843441 |
difference | -0.0003698 |
Energy (hartrees) | |
---|---|
frozen core | -107.6839743 |
correlated core | -107.6843441 |
difference | -0.0003698 |
Energy (hartrees) | |
---|---|
frozen core | -107.6839743 |
correlated core | -107.6843441 |
difference | -0.0003698 |
Energy (hartrees) | |
---|---|
frozen core | -107.6839743 |
correlated core | -107.6843441 |
difference | -0.0003698 |
Energy (hartrees) | |
---|---|
frozen core | -107.6839743 |
correlated core | -107.6843441 |
difference | -0.0003698 |
Energy (hartrees) | |
---|---|
frozen core | -107.6839743 |
correlated core | -107.6843441 |
difference | -0.0003698 |
Energy (hartrees) | |
---|---|
frozen core | -107.6839743 |
correlated core | -107.6843441 |
difference | -0.0003698 |
Energy (hartrees) | |
---|---|
frozen core | -107.6839743 |
correlated core | -107.6843441 |
difference | -0.0003698 |
Energy (hartrees) | |
---|---|
frozen core | -107.6839743 |
correlated core | -107.6843441 |
difference | -0.0003698 |