III.G.10.a. |
Energy differences between frozen core and full core for MP4/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -92.4805873 |
correlated core | -92.4848841 |
difference | -0.0042968 |
Energy (hartrees) | |
---|---|
frozen core | -92.4805873 |
correlated core | -92.4848841 |
difference | -0.0042968 |
Energy (hartrees) | |
---|---|
frozen core | -92.4805873 |
correlated core | -92.4848841 |
difference | -0.0042968 |
Energy (hartrees) | |
---|---|
frozen core | -92.4805873 |
correlated core | -92.4848841 |
difference | -0.0042968 |