III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -2400.1094281 |
correlated core | -2400.1577569 |
difference | -0.0483288 |
Energy (hartrees) | |
---|---|
frozen core | -2400.1094281 |
correlated core | -2400.1577569 |
difference | -0.0483288 |
Energy (hartrees) | |
---|---|
frozen core | -2400.1094281 |
correlated core | -2400.1577572 |
difference | -0.0483291 |
Energy (hartrees) | |
---|---|
frozen core | -2400.1094281 |
correlated core | -2400.1577569 |
difference | -0.0483288 |
Energy (hartrees) | |
---|---|
frozen core | -2400.1094281 |
correlated core | -2400.1577569 |
difference | -0.0483288 |
Energy (hartrees) | |
---|---|
frozen core | -2400.1094281 |
correlated core | -2400.1577572 |
difference | -0.0483292 |