III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -75.6942041 |
correlated core | -75.7240479 |
difference | -0.0298439 |
Energy (hartrees) | |
---|---|
frozen core | -75.6942041 |
correlated core | -75.7240478 |
difference | -0.0298437 |
Energy (hartrees) | |
---|---|
frozen core | -75.6942039 |
correlated core | -75.7240479 |
difference | -0.0298441 |
Energy (hartrees) | |
---|---|
frozen core | -75.6942039 |
correlated core | -75.7240478 |
difference | -0.0298439 |