III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/6-31+G**
For ()Energy (hartrees) | |
---|---|
frozen core | -109.4430370 |
correlated core | -109.4450352 |
difference | -0.0019982 |
Energy (hartrees) | |
---|---|
frozen core | -109.4430370 |
correlated core | -109.4450352 |
difference | -0.0019982 |
Energy (hartrees) | |
---|---|
frozen core | -109.4430370 |
correlated core | -109.4450350 |
difference | -0.0019980 |
Energy (hartrees) | |
---|---|
frozen core | -109.4430370 |
correlated core | -109.4450352 |
difference | -0.0019982 |
Energy (hartrees) | |
---|---|
frozen core | -109.4430370 |
correlated core | -109.4450352 |
difference | -0.0019982 |
Energy (hartrees) | |
---|---|
frozen core | -109.4430370 |
correlated core | -109.4450350 |
difference | -0.0019980 |
Energy (hartrees) | |
---|---|
frozen core | -109.4430368 |
correlated core | -109.4450352 |
difference | -0.0019985 |
Energy (hartrees) | |
---|---|
frozen core | -109.4430368 |
correlated core | -109.4450352 |
difference | -0.0019985 |
Energy (hartrees) | |
---|---|
frozen core | -109.4430368 |
correlated core | -109.4450350 |
difference | -0.0019982 |