III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pCVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -113.1415034 |
correlated core | -113.2407533 |
difference | -0.0992499 |
Energy (hartrees) | |
---|---|
frozen core | -113.1415034 |
correlated core | -113.2407533 |
difference | -0.0992499 |
Energy (hartrees) | |
---|---|
frozen core | -113.1415034 |
correlated core | -113.2407533 |
difference | -0.0992500 |
Energy (hartrees) | |
---|---|
frozen core | -113.1415034 |
correlated core | -113.2407533 |
difference | -0.0992499 |
Energy (hartrees) | |
---|---|
frozen core | -113.1415034 |
correlated core | -113.2407533 |
difference | -0.0992499 |
Energy (hartrees) | |
---|---|
frozen core | -113.1415034 |
correlated core | -113.2407533 |
difference | -0.0992500 |
Energy (hartrees) | |
---|---|
frozen core | -113.1415034 |
correlated core | -113.2407533 |
difference | -0.0992499 |
Energy (hartrees) | |
---|---|
frozen core | -113.1415034 |
correlated core | -113.2407533 |
difference | -0.0992499 |
Energy (hartrees) | |
---|---|
frozen core | -113.1415034 |
correlated core | -113.2407533 |
difference | -0.0992499 |