III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -3530.7426131 |
correlated core | -3530.8849060 |
difference | -0.1422930 |
Energy (hartrees) | |
---|---|
frozen core | -3530.7426131 |
correlated core | -3530.8849060 |
difference | -0.1422930 |
Energy (hartrees) | |
---|---|
frozen core | -3530.7426131 |
correlated core | -3530.8849060 |
difference | -0.1422929 |
Energy (hartrees) | |
---|---|
frozen core | -3530.7426131 |
correlated core | -3530.8849060 |
difference | -0.1422929 |
Energy (hartrees) | |
---|---|
frozen core | -3530.7426131 |
correlated core | -3530.8849060 |
difference | -0.1422930 |
Energy (hartrees) | |
---|---|
frozen core | -3530.7426131 |
correlated core | -3530.8849060 |
difference | -0.1422930 |