III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -77.1640575 |
correlated core | -77.1980918 |
difference | -0.0340343 |
Energy (hartrees) | |
---|---|
frozen core | -77.1640575 |
correlated core | -77.1980919 |
difference | -0.0340345 |
Energy (hartrees) | |
---|---|
frozen core | -77.1640575 |
correlated core | -77.1980919 |
difference | -0.0340345 |
Energy (hartrees) | |
---|---|
frozen core | -77.1640574 |
correlated core | -77.1980918 |
difference | -0.0340344 |
Energy (hartrees) | |
---|---|
frozen core | -77.1640574 |
correlated core | -77.1980919 |
difference | -0.0340345 |
Energy (hartrees) | |
---|---|
frozen core | -77.1640574 |
correlated core | -77.1980919 |
difference | -0.0340345 |