III.G.10.a. |
Energy differences between frozen core and full core for MP2/TZVP
For ()Energy (hartrees) | |
---|---|
frozen core | -2077.9152056 |
correlated core | -2078.0543533 |
difference | -0.1391477 |
Energy (hartrees) | |
---|---|
frozen core | -2077.9152056 |
correlated core | -2078.0543533 |
difference | -0.1391477 |
Energy (hartrees) | |
---|---|
frozen core | -2077.9152056 |
correlated core | -2078.0543533 |
difference | -0.1391476 |
Energy (hartrees) | |
---|---|
frozen core | -2077.9152056 |
correlated core | -2078.0543533 |
difference | -0.1391477 |
Energy (hartrees) | |
---|---|
frozen core | -2077.9152056 |
correlated core | -2078.0543533 |
difference | -0.1391477 |
Energy (hartrees) | |
---|---|
frozen core | -2077.9152056 |
correlated core | -2078.0543533 |
difference | -0.1391477 |