III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -76.3289924 |
correlated core | -76.3441482 |
difference | -0.0151558 |
Energy (hartrees) | |
---|---|
frozen core | -76.3289924 |
correlated core | -76.3441482 |
difference | -0.0151558 |
Energy (hartrees) | |
---|---|
frozen core | -76.3289924 |
correlated core | -76.3441482 |
difference | -0.0151558 |
Energy (hartrees) | |
---|---|
frozen core | -76.3289923 |
correlated core | -76.3441482 |
difference | -0.0151559 |
Energy (hartrees) | |
---|---|
frozen core | -76.3289923 |
correlated core | -76.3441482 |
difference | -0.0151559 |
Energy (hartrees) | |
---|---|
frozen core | -76.3289923 |
correlated core | -76.3441482 |
difference | -0.0151559 |
Energy (hartrees) | |
---|---|
frozen core | -76.3289923 |
correlated core | -76.3441482 |
difference | -0.0151559 |
Energy (hartrees) | |
---|---|
frozen core | -76.3289923 |
correlated core | -76.3441482 |
difference | -0.0151559 |
Energy (hartrees) | |
---|---|
frozen core | -76.3289923 |
correlated core | -76.3441482 |
difference | -0.0151559 |