III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -342.2593451 |
correlated core | -342.2669893 |
difference | -0.0076442 |
Energy (hartrees) | |
---|---|
frozen core | -342.2593449 |
correlated core | -342.2669893 |
difference | -0.0076443 |
Energy (hartrees) | |
---|---|
frozen core | -342.2593451 |
correlated core | -342.2669892 |
difference | -0.0076441 |
Energy (hartrees) | |
---|---|
frozen core | -342.2593449 |
correlated core | -342.2669892 |
difference | -0.0076442 |