III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31+G**
For ()Energy (hartrees) | |
---|---|
frozen core | -26.4872337 |
correlated core | -26.4920634 |
difference | -0.0048297 |
Energy (hartrees) | |
---|---|
frozen core | -26.4872337 |
correlated core | -26.4920634 |
difference | -0.0048297 |
Energy (hartrees) | |
---|---|
frozen core | -26.4872337 |
correlated core | -26.4920634 |
difference | -0.0048297 |
Energy (hartrees) | |
---|---|
frozen core | -26.4872337 |
correlated core | -26.4920634 |
difference | -0.0048297 |
Energy (hartrees) | |
---|---|
frozen core | -26.4872340 |
correlated core | -26.4920634 |
difference | -0.0048294 |
Energy (hartrees) | |
---|---|
frozen core | -26.4872340 |
correlated core | -26.4920634 |
difference | -0.0048294 |
Energy (hartrees) | |
---|---|
frozen core | -26.4872340 |
correlated core | -26.4920634 |
difference | -0.0048294 |
Energy (hartrees) | |
---|---|
frozen core | -26.4872340 |
correlated core | -26.4920634 |
difference | -0.0048294 |