III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -364.0944378 |
correlated core | -364.1042856 |
difference | -0.0098479 |
Energy (hartrees) | |
---|---|
frozen core | -364.0944376 |
correlated core | -364.1042856 |
difference | -0.0098480 |
Energy (hartrees) | |
---|---|
frozen core | -364.0944378 |
correlated core | -364.1042854 |
difference | -0.0098477 |
Energy (hartrees) | |
---|---|
frozen core | -364.0944376 |
correlated core | -364.1042854 |
difference | -0.0098478 |