III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -452.3100597 |
correlated core | -452.3562248 |
difference | -0.0461651 |
Energy (hartrees) | |
---|---|
frozen core | -452.3100597 |
correlated core | -452.3562247 |
difference | -0.0461650 |
Energy (hartrees) | |
---|---|
frozen core | -452.3100597 |
correlated core | -452.3562248 |
difference | -0.0461650 |
Energy (hartrees) | |
---|---|
frozen core | -452.3100597 |
correlated core | -452.3562247 |
difference | -0.0461650 |