III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G*
For ()Energy (hartrees) | |
---|---|
frozen core | -79.5259160 |
correlated core | -79.5627866 |
difference | -0.0368706 |
Energy (hartrees) | |
---|---|
frozen core | -79.5259160 |
correlated core | -79.5627866 |
difference | -0.0368706 |
Energy (hartrees) | |
---|---|
frozen core | -79.5259160 |
correlated core | -79.5627866 |
difference | -0.0368706 |
Energy (hartrees) | |
---|---|
frozen core | -79.5259160 |
correlated core | -79.5627866 |
difference | -0.0368706 |
Energy (hartrees) | |
---|---|
frozen core | -79.5259160 |
correlated core | -79.5627866 |
difference | -0.0368706 |
Energy (hartrees) | |
---|---|
frozen core | -79.5259160 |
correlated core | -79.5627866 |
difference | -0.0368706 |
Energy (hartrees) | |
---|---|
frozen core | -79.5259160 |
correlated core | -79.5627866 |
difference | -0.0368706 |
Energy (hartrees) | |
---|---|
frozen core | -79.5259160 |
correlated core | -79.5627866 |
difference | -0.0368706 |
Energy (hartrees) | |
---|---|
frozen core | -79.5259160 |
correlated core | -79.5627866 |
difference | -0.0368706 |
Energy (hartrees) | |
---|---|
frozen core | -79.5211629 |
correlated core | -79.5580259 |
difference | -0.0368630 |
Energy (hartrees) | |
---|---|
frozen core | -79.5211628 |
correlated core | -79.5580259 |
difference | -0.0368631 |